Experimental basicity data in non-aqueous media by Leito group
Organic solvents are denoted as follows: THF – tetrahydrofuran; MeCN – acetonitrile; DCE – 1,2-dichloroethane
The pKa of a base refers to the pKa of the conjugate acid.
The pKa values in MeCN are taken from the new review article in which the whole basicity scale was re-evaluated taking into account all (close to 700) measurements of 279 bases. As a result, these values can be considered the most reliable pKa values measured in MeCN available. Earlier values (published before 2019) changed slightly (usually by 0.00 .. 0.04 pKa units). Clicking the pKa value of a compound in the following table will lead to the original paper of each pKa value.
Collection of acidity data in various non-aqueous solvents is here .
CAS | Name | pKip(THF) | pKa(MeCN) | pKip(DCE) | SMILES |
---|---|---|---|---|---|
153136-03-9 | t-Bu-N=P4(pyrr)9 | 34.2 | CC(C)(C)N=P(N=P(N1CCCC1)(N2CCCC2)N3CCCC3)(N=P(N4CCCC4)(N5CCCC5)N6CCCC6)N=P(N7CCCC7)(N8CCCC8)N9CCCC9 | ||
111324-04-0 | t-Bu-N=P4(dma)9 | 33.0 | CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C | ||
1967835-27-3 | H2C=P(2,4,6-(MeO)3-C6H2)2Ph | 32.9 | C=P(c1ccccc1)(c2c(OC)cc(OC)cc2OC)c3c(cc(cc3OC)OC)OC | ||
1967835-28-4 | Ph(CH3)CH-N=P4(pyrr)9 | 32.9 | CC(N=P(N=P(N1CCCC1)(N2CCCC2)N3CCCC3)(N=P(N4CCCC4)(N5CCCC5)N6CCCC6)N=P(N7CCCC7)(N8CCCC8)N9CCCC9)c%10ccccc%10 | ||
1967835-29-5 | Ph(CH3)C=P(2,4,6-(MeO)3-C6H2)3 | 32.1 | CC(c1ccccc1)=P(c2c(OC)cc(OC)cc2OC)(c3c(OC)cc(OC)cc3OC)c4c(cc(cc4OC)OC)OC | ||
1967835-30-8 | (CH3)2C=P(2,4,6-(MeO)3-C6H2)Ph2 | 31.8 | CC(C)=P(c1ccccc1)(c2ccccc2)c3c(cc(cc3OC)OC)OC | ||
1967835-31-9 | Ph(CH3)CH-N=P4(dma)9 | 31.7 | CN(C)P(=NP(=NC(C)c1ccccc1)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C | ||
1967835-32-0 | MeO-CH=P(4-MeO-C6H4)3 | 30.9 | COc1ccc(cc1)P(=COC)(c2ccc(OC)cc2)c3ccc(cc3)OC | ||
1967835-33-1 | (CH3)2C=P(4-MeO-C6H4)3 | 30.8 | CC(C)=P(c1ccc(OC)cc1)(c2ccc(OC)cc2)c3ccc(cc3)OC | ||
1967835-34-2 | Ph(CH3)C=P(2,6-(MeO)2-C6H3)3 | 30.8 | CC(c1ccccc1)=P(c2c(OC)cccc2OC)(c3c(OC)cccc3OC)c4c(cccc4OC)OC | ||
1967835-35-3 | CH3-CH=P(C6H11)2Ph | 30.3 | CC=P(C1CCCCC1)(c2ccccc2)C3CCCCC3 | ||
1967835-36-4 | Et-N=P1(imme)3 | 30.2 | CN/3CCN(C)C\3=N/P(/N=C1\N(C)CCN1C)(/N=C2\N(C)CCN2C)=NCC | ||
1967835-37-5 | (CH3)2C=P(3,5-(MeO)2-C6H3)3 | 29.9 | CC(C)=P(c1c(OC)cccc1OC)(c2c(OC)cccc2OC)c3c(cccc3OC)OC | ||
1967835-38-6 | H2C=P(2,4,6-(MeO)3-C6H2)Ph2 | 29.8 | C=P(c1ccccc1)(c2ccccc2)c3c(cc(cc3OC)OC)OC | ||
1967835-39-7 | CH3-CH=P(C6H11)Ph2 | 29.8 | CC=P(c1ccccc1)(c2ccccc2)C3CCCCC3 | ||
874220-58-3 | Et-N=P1(tmg)3 | 29.7 | CN(C)/C(=N/P(/N=C(\N(C)C)N(C)C)(=NCC)/N=C(\N(C)C)N(C)C)N(C)C | ||
1967835-40-0 | MeO-CH=P(C6H11)Ph2 | 29.7 | COC=P(c1ccccc1)(c2ccccc2)C3CCCCC3 | ||
217189-37-2 | (CH3)2C=P(dma)3 | 29.5 | CC(C)=P(N(C)C)(N(C)C)N(C)C | ||
1967835-41-1 | H2C=P(C6H11)2Ph | 29.4 | C=P(C1CCCCC1)(c2ccccc2)C3CCCCC3 | ||
1967835-42-2 | Ph(CH3)CH-N=P1(imme)3 | 29.0 | CN/4CCN(C)C\4=N/P(/N=C1\N(C)CCN1C)(/N=C2\N(C)CCN2C)=NC(C)c3ccccc3 | ||
874220-39-0 | H-N=P1(imme)3 | 28.8 | CN/3CCN(C)C\3=N/P(=N)(/N=C1\N(C)CCN1C)/N=C2\N(C)CCN2C | ||
1967835-43-3 | Ph(CH3)CH-N=P4(Ph)9 | 28.8 | CC(N=P(N=P(c1ccccc1)(c2ccccc2)c3ccccc3)(N=P(c4ccccc4)(c5ccccc5)c6ccccc6)N=P(c7ccccc7)(c8ccccc8)c9ccccc9)c%10ccccc%10 | ||
16666-80-1 | (CH3)2C=PPh3 | 28.7 | CC(C)=[P](c1ccccc1)(c2ccccc2)c3ccccc3 | ||
1595281-28-9 | R1=Me; R2=iPr, BIG (N,N'- bis(imidazolyl)guanidine) superbase | 28.5 | CC(C)N2C(C)=C(C)N(\C2=N\C(=N/C)/N=C1/N(C(C)C)C(C)=C(C)N1C(C)C)C(C)C | ||
1595281-22-3 | R1=iPr; R2=iPr, BIG (N,N'- bis(imidazolyl)guanidine) superbase | 28.4 | CC(C)N2C(C)=C(C)N(\C2=N\C(\N=C1\N(C(C)C)C(C)=C(C)N1C(C)C)=N/C(C)C)C(C)C | ||
874220-59-4 | t-Bu-N=P1(tmg)3 | 28.4 | CN(C)/C(=N/P(/N=C(\N(C)C)N(C)C)(=NC(C)(C)C)/N=C(\N(C)C)N(C)C)N(C)C | ||
1967835-44-4 | t-Bu-N=P3(dma)6NEt2 | 28.3 | CN(C)P(=NP(=NC(C)(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N(CC)CC)(N(C)C)N(C)C | ||
874220-27-6 | H-N=P1(tmg)3 | 28.1 | CN(C)/C(=N/P(=N)(/N=C(/N(C)C)N(C)C)/N=C(\N(C)C)N(C)C)N(C)C | ||
1595281-26-7 | R1=tBuCH2; R2=iPr, BIG (N,N'- bis(imidazolyl)guanidine) superbase | 28.0 | CC(C)N2C(C)=C(C)N(\C2=N\C(N=C1\N(C(C)C)C(C)=C(C)N1C(C)C)=N/CC(C)(C)C)C(C)C | ||
874220-62-9 | 4-MeO-C6H4-N=P4(pyrr)9 | 27.8 | COc1ccc(cc1)N=P(N=P(N2CCCC2)(N3CCCC3)N4CCCC4)(N=P(N5CCCC5)(N6CCCC6)N7CCCC7)N=P(N8CCCC8)(N9CCCC9)N%10CCCC%10 | ||
114278-59-0 | H2C=P(4-MeO-C6H4)3 | 27.8 | C=P(c1ccc(OC)cc1)(c2ccc(OC)cc2)c3ccc(OC)cc3 | ||
1595281-18-7 | R1=H; R2=iPr, BIG (N,N'- bis(imidazolyl)guanidine) superbase | 27.5 | CC(C)N2C(C)=C(C)N(\C2=N\C(=N)\N=C1\N(C(C)C)C(C)=C(C)N1C(C)C)C(C)C | ||
1754-88-7 | CH3-CH=PPh3 | 27.5 | CC=[P](c1ccccc1)(c2ccccc2)c3ccccc3 | ||
874220-51-6 | Ph-N=P4(pyrr)9 | 27.4 | C1CN(CC1)P(=NP(=Nc2ccccc2)(N=P(N3CCCC3)(N4CCCC4)N5CCCC5)N=P(N6CCCC6)(N7CCCC7)N8CCCC8)(N9CCCC9)N%10CCCC%10 | ||
1967835-45-5 | CH3-CH=P(1-Napht)Ph2 | 27.3 | CC=P(c2cccc1ccccc12)(c3ccccc3)c4ccccc4 | ||
181471-24-9 | t-Bu-N=P3(dma)6N(i-Pr)2 | 27.1 | CN(C)P(=NP(=NC(C)(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N(C(C)C)C(C)C)(N(C)C)N(C)C | ||
1967835-46-6 | Ph-CH=P(pyrr)2tmg | 27.1 | CN(C)\C(=N/P(=Cc1ccccc1)(N2CCCC2)N3CCCC3)N(C)C | ||
1595281-20-1 | R1=H; R2=Cy, BIG (N,N'- bis(imidazolyl)guanidine) superbase | 27.0 | CC=6N(C1CCCCC1)/C(=N/C(=N)/N=C3/N(C(C)=C(C)N3C2CCCCC2)C4CCCCC4)N(C5CCCCC5)C=6C | ||
874220-49-2 | 4-MeO-C6H4-N=P4(dma)9 | 27.0 | CN(C)P(=NP(N=P(N(C)C)(N(C)C)N(C)C)(=Nc1ccccc1)N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C | ||
1967835-47-7 | H2C=P(3,5-(MeO)2-C6H3)3 | 26.7 | C=P(c1cc(OC)cc(OC)c1)(c2cc(OC)cc(OC)c2)c3cc(cc(OC)c3)OC | ||
1967835-48-8 | H2C=P(3-MeO-C6H4)3 | 26.6 | C=P(c1cc(OC)ccc1)(c2cc(OC)ccc2)c3cc(OC)ccc3 | ||
1967835-49-9 | Ph-CH=P(dma)2tmg | 26.6 | CN(C)\C(=N/P(=Cc1ccccc1)(N(C)C)N(C)C)N(C)C | ||
1595281-24-5 | R1=iPr; R2=Cy, BIG (N,N'- bis(imidazolyl)guanidine) superbase | 26.5 | CC=6N(C1CCCCC1)/C(=N/C(=N/C(C)C)\N=C3\N(C(C)=C(C)N3C2CCCCC2)C4CCCCC4)N(C5CCCCC5)C=6C | ||
874220-30-1 | tBu-N=P(tmg)2NEt2 | 26.3 | CN(C)/C(=N/P(/N=C(\N(C)C)N(C)C)(=CC(C)(C)C)N(CC)CC)N(C)C | ||
874220-48-1 | Ph-N=P4(dma)9 | 26.3 | CN(C)P(=NP(N=P(N(C)C)(N(C)C)N(C)C)(=Nc1ccccc1)N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C | ||
3487-44-3 | H2C=PPh3 | 26.2 | C=[P](c1ccccc1)(c2ccccc2)c3ccccc3 | ||
3739-96-6 | (CH3)3C-CH=PPh3 | 26.1 | CC(C)(C)C=P(c1ccccc1)(c2ccccc2)c3ccccc3 | ||
874220-47-0 | Et-N=P2(pyrr)5 | 25.9 | CCN=P(N=P(N1CCCC1)(N2CCCC2)N3CCCC3)(N4CCCC4)N5CCCC5 | ||
874220-63-0 | 4-Br-C6H4-N=P4(pyrr)9 | 25.8 | Brc1ccc(cc1)N=P(N=P(N2CCCC2)(N3CCCC3)N4CCCC4)(N=P(N5CCCC5)(N6CCCC6)N7CCCC7)N=P(N8CCCC8)(N9CCCC9)N%10CCCC%10 | ||
648419-17-4 | 2-Cl-C6H4-N=P4(pyrr)9 | 25.6 | Clc%10ccccc%10N=P(N=P(N1CCCC1)(N2CCCC2)N3CCCC3)(N=P(N4CCCC4)(N5CCCC5)N6CCCC6)N=P(N7CCCC7)(N8CCCC8)N9CCCC9 | ||
910048-53-2 | t-Bu-N=P3(Ph)7 | 25.6 | CC(C)(C)N=P(N=P(c1ccccc1)(c2ccccc2)c3ccccc3)(N=P(c4ccccc4)(c5ccccc5)c6ccccc6)c7ccccc7 | ||
220229-03-8 | Ph-CH=P(-NMe-CH2-CH2-)3N | 25.4 | 33.14 | CN2CCN3CCN(C)P2(=Cc1ccccc1)N(C)CC3 | |
1967835-50-2 | H2C=P(2,4,6-(Me)3-C6H2)3 | 25.2 | Cc1cc(C)cc(C)c1P(=C)(c2c(C)cc(C)cc2C)c3c(C)cc(C)cc3C | ||
1595281-30-3 | R1=4-MeO-C6H4-; R2=iPr, BIG (N,N'- bis(imidazolyl)guanidine) superbase | 24.9 | CC(C)N3C(C)=C(C)N(\C3=N\C(=N/c1ccc(OC)cc1)\N=C2\N(C(C)C)C(C)=C(C)N2C(C)C)C(C)C | ||
165535-45-5 | Et-N=P2(dma)5 | 24.9 | 32.94 | CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C | |
648419-18-5 | 4-MeO-C6H4-N=P3(pyrr)7 | 24.8 | COc1ccc(cc1)N=P(N=P(N2CCCC2)(N3CCCC3)N4CCCC4)(N=P(N5CCCC5)(N6CCCC6)N7CCCC7)N8CCCC8 | ||
111324-03-9 | t-Bu-N=P2(dma)5 | 24.4 | 33.09 | CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C | |
1487424-01-0 | 1,8-bis[tricyclopentylphos- phoranylidene]naphthalene (TPPN) | 24.1 | 32.06 | C1CN(CC1)P(=Nc6cccc5cccc(N=P(N2CCCC2)(N3CCCC3)N4CCCC4)c56)(N7CCCC7)N8CCCC8 | |
1967835-51-3 | Ph-CH=P(pyrr)3 | 23.8 | 32.42 | C1CN(CC1)P(=Cc2ccccc2)(N3CCCC3)N4CCCC4 | |
120666-13-9 | Verkade superbase, P(-NMe-CH2-CH2-)3N | 23.8 | 32.9 | CN1CC[NH+]2CCN(C)P1N(C)CC2 | |
874220-60-7 | Ph-N=P(tmg)3 | 23.7 | 31.34 | CN(C)\C(=N/P(/N=C(\N(C)C)N(C)C)(=Nc1ccccc1)/N=C(\N(C)C)N(C)C)N(C)C | |
1967835-52-4 | 4-NO2-C6H4-CH=P(2,4,6-(MeO)3-C6H2)3 | 23.4 | 30.68 | [O-][N+](=O)c4ccc(C=P(c1c(OC)cc(OC)cc1OC)(c2c(OC)cc(OC)cc2OC)c3c(cc(cc3OC)OC)OC)cc4 | |
1967835-53-5 | Ph-CH=P(dma)3 | 22.3 | 31.24 | CN(C)P(=Cc1ccccc1)(N(C)C)N(C)C | |
910048-50-9 | t-Bu-N=P2(Ph)5 | 19.6 | CC(C)(C)N=P(N=P(c1ccccc1)(c2ccccc2)c3ccccc3)(c4ccccc4)c5ccccc5 | ||
1967835-55-7 | 4-NO2-C6H4-CH=P(pyrr)3 | 18.2 | 25.49 | [O-][N+](=O)c1ccc(cc1)C=P(N2CCCC2)(N3CCCC3)N4CCCC4 | |
1967835-54-6 | 4-NO2-C6H4-CH=P(dma)3 | 17.3 | 24.53 | O=[N+]([O-])c1ccc(C=P(N(C)C)(N(C)C)N(C)C)cc1 | |
648419-19-6 | Ph-N=P3(pyrr)7 | 24.1 | 32.74 | C1CN(CC1)P(=NP(=Nc2ccccc2)(N=P(N3CCCC3)(N4CCCC4)N5CCCC5)N6CCCC6)(N7CCCC7)N8CCCC8 | |
648419-20-9 | 4-MeO-C6H4-N=P3(dma)7 | 23.6 | 31.95 | COc1ccc(N=P(N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N(C)C)cc1 | |
648419-21-0 | Ph-N=P3(dma)7 | 23.0 | 31.44 | CN(C)P(=NP(=Nc1ccccc1)(N=P(N(C)C)(N(C)C)N(C)C)N(C)C)(N(C)C)N(C)C | |
648419-24-3 | 2-Cl-C6H4-N=P3(pyrr)6(NEt2) | 21.2 | 31.17 | Clc7ccccc7N=P(N=P(N1CCCC1)(N2CCCC2)N3CCCC3)(N=P(N4CCCC4)(N5CCCC5)N6CCCC6)N(CC)CC | |
1262642-84-1 | 1,8-bis[tributylphosphazenyl]naphthalene (TBPN) | 23.9 | 31.05 | CCCCP(CCCC)(CCCC)=Nc1cccc2cccc(N=P(CCCC)(CCCC)CCCC)c12 | |
1621471-20-2 | 1,8-bis[tricyclopentylphosphazenyl]naphthalene (TcyPPN) | 22.7 | 30.55 | c4ccc8cccc(N=P(C1CCCC1)(C2CCCC2)C3CCCC3)c8c4N=P(C5CCCC5)(C6CCCC6)C7CCCC7 | |
648419-22-1 | 4-CF3-C6H4-N=P3(pyrr)7 | 22.3 | 30.46 | FC(F)(F)c1ccc(cc1)N=P(N=P(N2CCCC2)(N3CCCC3)N4CCCC4)(N=P(N5CCCC5)(N6CCCC6)N7CCCC7)N8CCCC8 | |
1621471-18-8 | 1,8-bis[triisopropyphosphazenyl]naphthalene (TiPrPN) | 22.6 | 30.32 | CC(C)P(=Nc1cccc2cccc(N=P(C(C)C)(C(C)C)C(C)C)c12)(C(C)C)C(C)C | |
1621471-15-5 | 1,8-bis[trimethylphosphazenyl]naphthalene (TMPN) | 23.6 | 30.32 | CP(C)(C)=Nc1cccc2cccc(N=P(C)(C)C)c12 | |
1380317-00-9 | N-[1,3-dihydro-4,5-dimethyl-1,3- bis(1-methylethyl)-2H-imidazol-2-ylidene] -2-methyl-2-Propanamine | 30.20 | CC(C)N1C(C)=C(C)N(/C1=N/C(C)(C)C)C(C)C | ||
1967835-56-8 | 3-Cl-C6H4-CH=P1(dma)3 | 20.1 | Clc1cc(C=P(N(C)C)(N(C)C)N(C)C)ccc1 | ||
648419-25-4 | 2-Cl-C6H4P3(dma)6NEt2 | 20.3 | 30.14 | Clc1ccccc1N=P(N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N(CC)CC | |
1380317-05-4 | N-[1,3-dihydro-4,5-dimethyl-1,3-bis(1- methylethyl)-2H-imidazol-2-ylidene] -2,4,4- trimethyl-2-Pentanamine | 29.95 | CC(C)N1C(=C(C)N(C1=NC(C)(C)CC(C)(C)C)C(C)C)C | ||
501931-37-9 | 1,8-bis[tris(1- methylethyl)phosphoranylidene]naphthalene (HMPN) | 21.9 | 29.89 | CN(C)P(=Nc1cccc2cccc(N=P(N(C)C)(N(C)C)N(C)C)c12)(N(C)C)N(C)C | |
1380317-01-0 | N-[1,3-bis(2,2-dimethylpropyl)-1,3-dihydro-4,5- dimethyl-2H-imidazol-2-ylidene]-2-methyl- 2- Propanamine | 29.89 | CC(C)(C)CN1C(C)=C(C)N(CC(C)(C)C)/C1=N/C(C)(C)C | ||
1380317-06-5 | N-[1,3-dihydro-4,5-dimethyl-1,3-bis(1- methylethyl)- 2H-imidazol-2-ylidene]-2,3,3- trimethyl-2-Butanamine | 29.47 | CC(C)N1C(C)=C(C)N(/C1=N/C(C)(C)C(C)(C)C)C(C)C | ||
915104-67-5 | HN=P1(pyrr-2-CH2-N-pyrr) | 29.31 | N=P(N2CCCC2CN1CCCC1)(N4CCCC4CN3CCCC3)N6CCCC6CN5CCCC5 | ||
648419-26-5 | 2,5-Cl2-C6H3-N=P(NEt2)-N=P2(pyrr)6 | 19.3 | 29.15 | Clc7cc(N=P(N=P(N1CCCC1)(N2CCCC2)N3CCCC3)(N=P(N4CCCC4)(N5CCCC5)N6CCCC6)N(CC)CC)c(Cl)cc7 | |
648419-23-2 | 4-CF3-C6H4-N=P3(dma)7 | 21.2 | 29.08 | CN(C)P(=NP(=Nc1ccc(cc1)C(F)(F)F)(N=P(N(C)C)(N(C)C)N(C)C)N(C)C)(N(C)C)N(C)C | |
874220-29-8 | Ph-N=P(tmg)2(dma) | 21.1 | 29.06 | CN(C)\C(=N/P(=Nc1ccccc1)(/N=C(\N(C)C)N(C)C)N(C)C)N(C)C | |
810672-05-0 | H2C{hpp}2 | 28.98 | N=3CCCN4CCCN(CN2CCCN1CCCN=C12)C=34 | ||
161118-34-9 | Et-N=P1(pyrr)3 | 21.7 | 28.88 | CCN=P(N1CCCC1)(N2CCCC2)N3CCCC3 | |
161118-67-8 | t-Bu-N=P1(pyrr)3 | 20.2 | 28.42 | CC(C)(C)N=[P](N1CCCC1)(N2CCCC2)N3CCCC3 | |
417706-55-9 | 4-MeO-C6H4-N=P2(pyrr)5 | 20.9 | 28.23 | COc1ccc(cc1)N=P(N=P(N2CCCC2)(N3CCCC3)N4CCCC4)(N5CCCC5)N6CCCC6 | |
1380317-02-1 | 4,5-dimethyl-N,1,3-tri(propan-2-yl)-1,3-dihydro- 2H-imidazol-2-imine | 27.98 | CC(C)N=C1N(C(C)C)C(=C(C)N1C(C)C)C | ||
1542158-75-7 | [(CH2)3dma][(CH2)3dma]TMAIMG | 27.66 | CN(C)CCCN/C(=N\CCCN(C)C)/N=C(\N(C)C)N(C)C | ||
417706-56-0 | Ph-N=P2(pyrr)5 | 20.2 | 27.56 | C1CN(CC1)P(=NP(=Nc2ccccc2)(N3CCCC3)N4CCCC4)(N5CCCC5)N6CCCC6 | |
1542158-74-6 | [Et][(CH2)3dma]TMAIMG | 27.54 | CN(C)CCCN/C(=N\CC)/N=C(\N(C)C)N(C)C | ||
49778-04-3 | Me-N=P1(dma)3 | 20.7 | 27.52 | CN=P(N(C)C)(N(C)C)N(C)C | |
1430747-07-1 | t-BuP1(TACD) | 27.38 | CC(C)(C)N=P23N1CCCN3CCCN2CCC1 | ||
207515-05-7 | [ch][ch]TMAIMG | 27.25 | CN(C)/C(=N\C(=N/C1CCCCC1)\NC2CCCCC2)N(C)C | ||
1380317-04-3 | N,4,5-trimethyl-1,3-di(propan-2-yl)- 1,3-dihydro- 2H-imidazol-2-imine | 27.2 | CC1=C(N(C(=NC)N1C(C)C)C(C)C)C | ||
502501-74-8 | N,N',N''-Tris[3-(dimethylamino)propyl]guanidine | 27.15 | CN(C)CCCNC(\NCCCN(C)C)=N\CCCN(C)C | ||
207515-04-6 | [i-Pr][i-Pr]TMAIMG | 27.11 | CN(C)/C(=NC(/NC(C)C)=N/C(C)C)N(C)C | ||
153136-23-3 | HN=P1(pyrr)3 | 20.8 | 27.01 | N=P(N1CCCC1)(N2CCCC2)N3CCCC3 | |
81675-81-2 | t-Bu-N=P1(dma)3 | 18.9 | 26.98 | CC(C)(C)N=P(N(C)C)(N(C)C)N(C)C | |
1430747-05-9 | t-Bu-N=P1(piperidinyl)3 | 26.70 | CC(C)(C)N=P(N1CCCCC1)(N2CCCCC2)N3CCCCC3 | ||
1542158-76-8 | [(CH2)3OMe][(CH2)3OMe]TMAIMG | 26.66 | CN(C)/C(=N\C(=N\CCCOC)\NCCCOC)N(C)C | ||
1020178-64-6 | N,N'-Bis[3-(dimethylamino)propyl]-N''-propylguanidine | 26.63 | CN(C)CCCNC(\NCCCN(C)C)=N\CCC | ||
417706-57-1 | Ph-N=P2(dma)5 | 19.4 | 26.44 | CN(C)P(=NP(=Nc1ccccc1)(N(C)C)N(C)C)(N(C)C)N(C)C | |
874220-64-1 | 4-Br-C6H4-N=P2(pyrr)5 | 19.3 | 26.30 | Brc1ccc(cc1)N=P(N=P(N2CCCC2)(N3CCCC3)N4CCCC4)(N5CCCC5)N6CCCC6 | |
1380317-03-2 | N-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-di(propan-2-yl)- 1,3- dihydro-2H-imidazol-2-imine | 26.25 | CC(C)N1C(=C(C)N(C(C)C)C1=NCC(C)(C)C)C | ||
5807-14-7 | TBD | 21.7 | 26.02 | C1CNC2=NCCCN2C1 | |
49778-01-0 | HN=P1-N=(dma)3 | 19.7 | 25.85 | CN(C)P(=N)(N(C)C)N(C)C | |
1020178-65-7 | N-[3-(Dimethylamino)propyl]-N',N''-dipropylguanidine | 25.83 | CN(C)CCC\N=C(\NCCC)NCCC | ||
1613226-83-7 | 2,6-{hpp}2C5H3N | 25.7 | C1CN=C2N(CCCN2C1)c3cccc(n3)N5CCCN4CCCN=C45 | ||
1380317-07-6 | 1-butyl-2,3-dimethyl-1,5,6,7- tetrahydroimidazo[1,2-a]pyrimidine | 25.52 | CC1=C(C)N(CCCC)C2=NCCCN12 | ||
84030-20-6 | MTBD | 18.7 | 25.47 | CN1CCCN2CCCN=C12 | |
417706-58-2 | 2-Cl-C6H4-N=P2(pyrr)5 | 16.8 | 25.40 | Clc6ccccc6N=P(N=P(N1CCCC1)(N2CCCC2)N3CCCC3)(N4CCCC4)N5CCCC5 | |
3015471-88-9 | t-Bu-N=P(bpi)3 | 25.32 | CC(C)(C)N=P(/N=C(\c1ccccc1)c1ccccc1)(/N=C(\c1ccccc1)c1ccccc1)/N=C(\c1ccccc1)c1ccccc1 | ||
1380317-08-7 | 1-butyl-2,3,6,6-tetramethyl-1,5,6,7- tetrahydroimidazo[1,2-a]pyrimidine | 25.30 | CC1=C(C)N(CCCC)C2=NCC(C)(C)CN12 | ||
1074761-85-5 | 4-CF3-C6H4P2(pyrr)5 | 25.27 | FC(F)(F)c1ccc(cc1)N=P(N=P(N2CCCC2)(N3CCCC3)N4CCCC4)(N5CCCC5)N6CCCC6 | ||
1020178-63-5 | N,N',N''-Tripropylguanidine | 24.90 | CCCN/C(=N\CCC)NCCC | ||
1020178-66-8 | N,N'-Bis(3-methoxypropyl)-N''-propylguanidine | 24.82 | COCCCNC(/NCCCOC)=N\CCC | ||
1020178-67-9 | N-(3-Methoxypropyl)-N',N''- dipropylguanidine | 24.79 | COCCCNC(/NCCC)=N\CCC | ||
1020178-68-0 | N,N',N''-Tris(3-methoxypropyl)guanidine | 24.73 | COCCCNC(/NCCCOC)=N\CCCOC | ||
862537-53-9 | 4,5-dimethyl-1,3-di(propan-2-yl)-1,3-dihydro-2H -imidazol-2-imine | 24.44 | CC1=C(N(C(=N)N1C(C)C)C(C)C)C | ||
6674-22-2 | DBU | 18.1 | 24.31 | C1CCN2CCCN=C2CC1 | |
874220-28-7 | Ph-N=P(tmg)(dma)2 | 18.1 | 24.67 | CN(C)\C(=N/P(=Nc1ccccc1)(N(C)C)N(C)C)N(C)C | |
1259375-35-3 | 2-{hpp}C5H4N | 24.2 | C1CN=C2N(CCCN2C1)c3ccccn3 | ||
300363-63-7 | 4-NMe2-C6H4-N=P1(pyrr) | 17.3 | 23.86 | CN(C)c1ccc(cc1)N=P(N2CCCC2)(N3CCCC3)N4CCCC4 | |
1380316-99-3 | N-(4-methoxyphenyl)-4,5-dimethyl-1,3-di(propan- 2-yl)- 1,3-dihydro-2H-imidazol-2-imine | 23.24 | CC(C)N2C(C)=C(C)N(\C2=N\c1ccc(OC)cc1)C(C)C | ||
80-70-6 | 1,1,3,3-Tetramethylguanidine | 17.0 | 23.35 | CN(C)C(=N)N(C)C | |
300363-64-8 | 4-MeO-C6H4-N=P1(pyrr)3 | 16.8 | 23.11 | COc1ccc(cc1)N=P(N2CCCC2)(N3CCCC3)N4CCCC4 | |
442873-72-5 | 1,8-Bis(tetramethylguanidino)naphthalene | 16.5 | 24.92 | CN(C)C(=NC1=CC=CC2=C1C(=CC=C2)N=C(N(C)C)N(C)C)N(C)C | |
1354970-98-1 | 5,6-dihydro-N2,N2-dimethyl-N4,5-bis(1- methylethyl)-6- [(1-methylethyl)imino]-1,3,5- Triazine-2,4-diamine | 23.02 | CC(C)N1C(/N=C(N=C1NC(C)C)N(C)C)=N/C(C)C | ||
14789-33-4 | N,N'-dimethyl-bispidine | 15.5 | 22.73 | CN1CC2CC(C1)CN(C)C2 | |
874220-61-8 | 2-Cl-C6H4-N=P2(dma) | 15.8 | 24.23 | Clc1ccccc1N=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C | |
90-39-1 | (-)-Sparteine | 14.2 | 21.67 | C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]2C1 | |
300363-65-9 | Ph-N=P1(pyrr)3 | 16.0 | 22.32 | C1CN(CC1)P(=Nc2ccccc2)(N3CCCC3)N4CCCC4 | |
280-74-0 | Bispidine | 21.56 | C1NCC2CNCC1C2 | ||
910334-38-2 | 3,7-Bis(1-phenylethyl)-3,7- diazabicyclo[3.3.1]nonane | 21.39 | CC(N1CC2CC(C1)CN(C2)C(C)c1ccccc1)c1ccccc1 | ||
3015471-95-8 | 4-N(CH3)2-C6H4N=P(bpi)3 | 21.31 | CN(C)c1ccc(N=P(/N=C(\c2ccccc2)c2ccccc2)(/N=C(\c2ccccc2)c2ccccc2)/N=C(\c2ccccc2)c2ccccc2)cc1 | ||
35589-04-9 | Ph-N=P1(dma)3 | 15.3 | 21.26 | CN(C)P(=NC1=CC=CC=C1)(N(C)C)N(C)C | |
59009-71-1 | 3,7-dibenzyl-3,7-diazabicyclo[3.3.1]nonane | 21.28 | C1C2CN(CC1CN(C2)CC3=CC=CC=C3)CC4=CC=CC=C4 | ||
300363-66-0 | 4-Br-C6H4P1(pyrr)3 | 15.3 | 21.20 | C1CCN(C1)P(=NC2=CC=C(C=C2)Br)(N3CCCC3)N4CCCC4 | |
80981-80-2 | Ph-N=P1(dma)2Me | 15.4 | 21.06 | CN(C)P(C)(=Nc1ccccc1)N(C)C | |
2097489-45-5 | 4-(4-dma-C6H4-N=N)-C6H4P1(pyrr)3 | 20.88 | CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=P(N3CCCC3)(N4CCCC4)N5CCCC5 | ||
2556-43-6 | 1,1,3,3-Tetramethyl-2-phenylguanidine | 15.0 | 20.85 | CN(C)C(=Nc1ccccc1)N(C)C | |
3015471-90-3 | 4-CH3O-C6H4-N=P(bpi)3 | 20.69 | COc1ccc(N=P(/N=C(\c2ccccc2)c2ccccc2)(/N=C(\c2ccccc2)c2ccccc2)/N=C(\c2ccccc2)c2ccccc2)cc1 | ||
300363-67-1 | 1-Napht-N=P1(pyrr)3 | 14.2 | 20.61 | C1CN(CC1)P(=Nc3cccc2ccccc23)(N4CCCC4)N5CCCC5 | |
111-33-1 | N,N'-dimethyl-1,3-propanediamine | 15.5 | 20.45 | C[NH2+]CCC[NH2+]C | |
300363-68-2 | 2-Cl-C6H4-N=P1(pyrr)3 | 13.2 | 20.19 | Clc4ccccc4N=P(N1CCCC1)(N2CCCC2)N3CCCC3 | |
2097489-39-7 | 4-(Ph-N=N)-C6H4P1(pyrr)3 | 20.27 | C1CN(CC1)P(=Nc3ccc(/N=N/c2ccccc2)cc3)(N4CCCC4)N5CCCC5 | ||
417706-59-3 | 4-CF3-C6H4-N=P1(pyrr)3 | 14.6 | 20.25 | FC(F)(F)c1ccc(cc1)N=P(N2CCCC2)(N3CCCC3)N4CCCC4 | |
97-84-7 | N,N,N',N'-tetramethyl-1,3-butanediamine | 14.1 | 20.15 | CC(CCN(C)C)N(C)C | |
3015471-89-0 | Ph-N=P(bpi)3 | 20.14 | N(=C(\c1ccccc1)c1ccccc1)\P(=Nc1ccccc1)(/N=C(\c1ccccc1)c1ccccc1)/N=C(\c1ccccc1)c1ccccc1 | ||
6291-84-5 | N-methyl-propanediamine | 15.8 | 20.10 | CNCCCN | |
4543-96-8 | N,N,N'-Trimethyl-1,3-propanediamine | 14.9 | 20.07 | C[NH2+]CCC[NH+](C)C | |
111-51-3 | N,N,N',N'-Tetramethyl-1,4-butanediamine | 13.4 | 19.96 | C[NH+](C)CCCC[NH+](C)C | |
109-76-2 | 1,3-Propanediamine | 19.76 | NCCCN | ||
93-69-6 | 1-o-tolyl-biguanide (2-Tol-1-BG) | 19.72 | Cc1ccccc1N=C(N)N=C(N)N | ||
109-55-7 | N,N-dimethyl-propanediamine | 15.3 | 19.63 | CN(C)CCCN | |
123-75-1 | Pyrrolidine | 15.3 | 19.62 | [H+].[Cl-].C1CCNC1 | |
195-41-5 | Quino[7,8-h]quinoline | 19.60 | c1cc4cccnc4c3c1ccc2cccnc23 | ||
2097489-42-2 | 4-(4-NO2-C6H4-N=N)-C6H4P1(pyrr)3 | 19.51 | [O-][N+](=O)c1ccc(cc1)/N=N/c2ccc(cc2)N=P(N3CCCC3)(N4CCCC4)N5CCCC5 | ||
110-89-4 | Piperidine | 15.0 | 19.35 | C1CCNCC1 | |
110-95-2 | N,N,N',N'-Tetramethyl-1,3-diaminopropane | 13.6 | 19.28 | C[NH+](C)CCC[NH+](C)C | |
3015471-94-7 | 4-Cl-C6H4-N=P(bpi)3 | 19.21 | Clc1ccc(N=P(/N=C(\c2ccccc2)c2ccccc2)(/N=C(\c2ccccc2)c2ccccc2)/N=C(\c2ccccc2)c2ccccc2)cc1 | ||
1354970-97-0 | 5,6-dihydro-N2,N2-dimethyl-N4,5-diphenyl-6- (phenylimino)-1,3,5-Triazine-2,4-diamine | 19.17 | CN(C)C1=N\C(=N/c2ccccc2)N(c2ccccc2)C(=N1)Nc1ccccc1 | ||
505-66-8 | Homopiperazine | 15.1 | 19.11 | C1CNCCNC1 | |
20995-60-2 | 2-Cl-C6H4-N=P1(dma)3 | 12.5 | 19.10 | Clc1ccccc1N=P(N(C)C)(N(C)C)N(C)C | |
2097489-44-4 | 4-(4-dma-C6H4-N=N)-C6H4P1(pyrr)2Ph | 19.04 | CN(C)c1ccc(cc1)/N=N/c2ccc(cc2)N=P(N3CCCC3)(c4ccccc4)N5CCCC5 | ||
124-40-3 | Dimethylamine | 19.03 | CNC | ||
3015471-96-9 | 4-N(CH3)2-C6H4-N=NC6H4-N=P(bpi)3 | 18.99 | CN(C)c1ccc(/N=N/c2ccc(N=P(/N=C(\c3ccccc3)c3ccccc3)(/N=C(\c3ccccc3)c3ccccc3)/N=C(\c3ccccc3)c3ccccc3)cc2)cc1 | ||
627-35-0 | N-methyl-1-propylamine | 14.6 | 18.93 | CCCNC | |
100-60-7 | N-Me-cyclohexylamine | 18.91 | CNC1CCCCC1 | ||
121-44-8 | Triethylamine | 14.1 | 18.83 | CCN(CC)CC | |
108-18-9 | Diisoprypylamine | 14.6 | 18.82 | CC(C)NC(C)C | |
110-85-0 | Piperazine | 14.9 | 18.69 | C1CNCCN1 | |
110-18-9 | N,N,N',N'-tetramethyl-1,2-ethanediamine | 13.4 | 18.69 | CN(C)CCN(C)C | |
98-94-2 | N,N-Me2-cyclohexylamine | 18.67 | CN(C)C1CCCCC1 | ||
20734-58-1 | Proton Sponge | 11.7 | 18.63 | CN(C)c1cccc2cccc(N(C)C)c12 | |
4-CF3-7-N=P1(pyrr)3-Coumarin | 18.58 | FC(F)(F)C2=CC(=O)Oc1cc(ccc12)N=P(N3CCCC3)(N4CCCC4)N5CCCC5 | |||
300363-69-3 | 2,6-Cl2-C6H3-N=P1(pyrr)3 | 11.8 | 18.56 | Clc4cccc(Cl)c4N=P(N1CCCC1)(N2CCCC2)N3CCCC3 | |
300363-70-6 | 2,5-Cl2-C6H3-N=P1(pyrr)3 | 11.9 | 18.50 | Clc4cc(N=P(N1CCCC1)(N2CCCC2)N3CCCC3)c(Cl)cc4 | |
846605-13-8 | 4-NO2-C6H4-N=P1(pyrr)3 | 13.2 | 18.50 | [O-][N+](=O)c1ccc(cc1)N=P(N2CCCC2)(N3CCCC3)N4CCCC4 | |
5725-45-1 | N2,N6,1-triphenyl Isomelamine | 18.52 | NC1=N\C(=N/c2ccccc2)N(c2ccccc2)C(=N1)Nc1ccccc1 | ||
107-10-8 | Propylamine | 14.7 | 18.44 | CCCN | |
2097489-38-6 | 4-(Ph-N=N)-C6H4P1(pyrr)2Ph | 18.39 | C1CN(CC1)P(=Nc3ccc(/N=N/c2ccccc2)cc3)(c4ccccc4)N5CCCC5 | ||
3015471-93-6 | 4-CF3-C6H4-N=P(bpi)3 | 18.39 | FC(F)(F)c1ccc(N=P(/N=C(\c2ccccc2)c2ccccc2)(/N=C(\c2ccccc2)c2ccccc2)/N=C(\c2ccccc2)c2ccccc2)cc1 | ||
108-91-8 | Cyclohexylamine | 18.36 | NC1CCCCC1 | ||
90-45-9 | 9-Aminoacridine | 18.36 | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N | ||
598-56-1 | N,N-dimethyl-ethylamine | 13.6 | 18.33 | CCN(C)C | |
2456-81-7 | 4-pyrrolidinylpyridine | 18.35 | C1CCN(C1)c2cc[nH+]cc2 | ||
102-69-2 | Tripropylamine | 13.1 | 18.26 | CCCN(CCC)CCC | |
626-67-5 | N-methyl-piperidine | 13.6 | 18.24 | [H+].[Cl-].CN1CCCCC1 | |
927-62-8 | N,N-dimethyl-butylamine | 13.4 | 18.25 | CCCC[NH+](C)C | |
109-01-3 | N-methyl-piperazine | 14.1 | 18.06 | CN1CCNCC1 | |
1122-58-3 | 4-NMe2-pyridine | 13.0 | 17.96 | CN(C)c1cc[nH+]cc1 | |
69407-63-2 | 3,7-bis[di(phenyl)methyl]-3,7- diazabicyclo[3.3.1]nonane | 17.79 | C1C2CN(CC1CN(C2)C(c3ccccc3)c4ccccc4)C(c5ccccc5)c6ccccc6 | ||
2097489-41-1 | 4-(4-NO2-C6H4-N=N)-C6H4P1(pyrr)2Ph | 17.74 | [O-][N+](=O)c1ccc(cc1)/N=N/c2ccc(cc2)N=P(N3CCCC3)(c4ccccc4)N5CCCC5 | ||
300363-71-7 | 2-NO2-4-Cl-C6H3-N=P1(pyrr)3 | 10.8 | 17.70 | [O-][N+](=O)c4cc(Cl)ccc4N=P(N1CCCC1)(N2CCCC2)N3CCCC3 | |
504-24-5 | 4-NH2-Pyridine | 17.63 | Nc1ccncc1 | ||
4-(Ph-N=N)-C6H4P1(dma)2Ph | 17.51 | CN(C)P(=Nc2ccc(/N=N/c1ccccc1)cc2)(N(C)C)c3ccccc3 | |||
107606-92-8 | 1,5-dimethyl-3,7-bis(phenylmethyl)-3,7- diazabicyclo[3.3.1]- nonan-9-one | 17.49 | CC12CN(CC(C1=O)(CN(C2)CC3=CC=CC=C3)C)CC4=CC=CC=C4 | ||
106-58-1 | N,N'-dimethyl-piperazine | 13.1 | 17.38 | CN1CCN(C)CC1 | |
2097489-43-3 | 4-(4-dma-C6H4-N=N)-C6H4P1(Ph)2pyrr | 17.34 | CN(C)c1ccc(cc1)/N=N/c2ccc(cc2)N=P(c3ccccc3)(c4ccccc4)N5CCCC5 | ||
417706-60-6 | 2-NO2-5-Cl-C6H3-N=P1(pyrr)3 | 10.1 | 17.28 | [O-][N+](=O)c4ccc(Cl)cc4N=P(N1CCCC1)(N2CCCC2)N3CCCC3 | |
3015471-97-0 | P-bpi-P-NHCHPh2-1,4-Ph2benzo[e]-2,3-azaphosphinine | 17.06 | c1cccc2c1c(c1ccccc1)p(nc2c1ccccc1)(/N=C(\c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 | ||
3015471-92-5 | 4-NO2-C6H4-N=P(bpi)3 | 17.00 | [O-][N+](=O)c1ccc(N=P(/N=C(\c2ccccc2)c2ccccc2)(/N=C(\c2ccccc2)c2ccccc2)/N=C(\c2ccccc2)c2ccccc2)cc1 | ||
59009-70-0 | 3,7-dibenzyl-3,7-diazabicyclo[3.3.1]nonan-9-one | 16.94 | C1C2CN(CC(C2=O)CN1CC3=CC=CC=C3)CC4=CC=CC=C4 | ||
100-46-9 | PhCH2NH2 | 16.92 | NCc1ccccc1 | ||
2097489-37-5 | 4-(Ph-N=N)-C6H4P1(Ph)2pyrr | 16.86 | c2cc(/N=N/c1ccccc1)ccc2N=P(c3ccccc3)(c4ccccc4)N5CCCC5 | ||
4-CF3-7-N=P1(pyrr)2Ph-Coumarin | 16.86 | FC(F)(F)C2=CC(=O)Oc1cc(ccc12)N=P(c3ccccc3)(N4CCCC4)N5CCCC5 | |||
417706-61-7 | 2-NO2-4-CF3-C6H3-N=P1(pyrr)3 | 9.6 | 16.54 | FC(F)(F)c4ccc(N=P(N1CCCC1)(N2CCCC2)N3CCCC3)c(c4)[N+]([O-])=O | |
581-29-3 | 2-NH2-acridine | 16.40 | Nc1ccc2cc3ccccc3nc2c1 | ||
1622-57-7 | 2-NH2-1-Me-benzimidazole | 16.32 | Cn1c(N)nc2ccccc12 | ||
2097489-40-0 | 4-(4-NO2-C6H4-N=N)-C6H4P1(Ph)2pyrr | 16.22 | [O-][N+](=O)c1ccc(cc1)/N=N/c2ccc(cc2)N=P(c3ccccc3)(c4ccccc4)N5CCCC5 | ||
33354-65-3 | 4-(4-dma-C6H4-N=N)-C6H4P1(Ph)3 | 16.18 | CN(C)c1ccc(cc1)/N=N/c5ccc(N=P(c2ccccc2)(c3ccccc3)c4ccccc4)cc5 | ||
934-32-7 | 2-NH2-benzimidazole | 16.1 | Nc1[nH]c2ccccc2n1 | ||
23936-60-9 | 1,2-(dimethylphosphano)ethane | 15.6 | CP(C)CCP(C)C | ||
33341-95-6 | 4-(Ph-N=N)-C6H4P1(Ph)3 | 15.58 | N(c2ccc(/N=N/c1ccccc1)cc2)=P(c3ccccc3)(c4ccccc4)c5ccccc5 | ||
594-09-2 | Trimethylphosphane | 15.48 | CP(C)C | ||
452-58-4 | 2,3-(NH2)2-pyridine | 15.26 | Nc1cccnc1N | ||
4-CF3-7-N=P1(Ph)2pyrr-Coumarin | 15.24 | FC(F)(F)C2=CC(=O)Oc1cc(ccc12)N=P(c3ccccc3)(c4ccccc4)N5CCCC5 | |||
288-32-4 | Imidazole | 15.07 | c1cncn1 | ||
108-75-8 | 2,4,6-Me3-pyridine | 9.6 | 15.00 | Cc1cc(C)nc(C)c1 | |
300363-72-8 | 2,4-(NO2)2-C6H3-N=P1(pyrr)3 | 8.0 | 14.91 | [O-][N+](=O)c4ccc(N=P(N1CCCC1)(N2CCCC2)N3CCCC3)c(c4)[N+]([O-])=O | |
33341-94-5 | 4-(4-NO2-C6H4-N=N)-C6H4P1(Ph)3 | 14.90 | [O-][N+](=O)c1ccc(cc1)/N=N/c5ccc(N=P(c2ccccc2)(c3ccccc3)c4ccccc4)cc5 | ||
141-86-6 | 2,6-(NH2)2-pyridine | 14.78 | Nc1cccc(N)n1 | ||
504-29-0 | 2-NH2-pyridine | 14.50 | Nc1ccccn1 | ||
417706-62-8 | 2,6-Cl2-4-NO2-C6H2-N=P1(pyrr)3 | 7.8 | 14.45 | [O-][N+](=O)c4cc(Cl)c(N=P(N1CCCC1)(N2CCCC2)N3CCCC3)c(Cl)c4 | |
620-08-6 | 4-MeO-pyridine | 9.1 | 14.24 | COc1ccncc1 | |
462-08-8 | 3-NH2-pyridine | 14.21 | Nc1cccnc1 | ||
108-48-5 | 2,6-Me2-pyridine | 8.8 | 14.16 | Cc1cccc(C)n1 | |
417706-63-9 | 2,6-NO2-C6H3-N=P1(pyrr)3 | 7.5 | 14.17 | [O-][N+](=O)c4cccc([N+]([O-])=O)c4N=P(N1CCCC1)(N2CCCC2)N3CCCC3 | |
54171-89-0 | 3,7-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one | 14.00 | C1C2CN(CC1CN(C2)C3=CC=CC=C3)C4=CC=CC=C4 | ||
4-CF3-7-N=P1(Ph)3-Coumarin | 13.92 | FC(F)(F)C2=CC(=O)Oc1cc(ccc12)N=P(c3ccccc3)(c4ccccc4)c5ccccc5 | |||
1013-88-3 | Benzophenone imine | 13.92 | N=C(c1ccccc1)c1ccccc1 | ||
187521-31-9 | dimethyl 9-oxo-3,7-bis(phenylmethyl)-3,7- diazabicyclo[3.3.1]nonane-1,5-dicarboxylate | 13.84 | O=C(OC)C13CN(CC(CN(C1)Cc2ccccc2)(C3=O)C(=O)OC)Cc4ccccc4 | ||
66-71-7 | Phenanthroline | 13.69 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | ||
581-28-2 | 2-Aminoacridine | 13.67 | C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)N | ||
51-17-2 | Benzimidazole | 13.54 | C1=CC=C2C(=C1)NC=N2 | ||
910334-37-1 | 3,7-bis[di(phenyl)methyl]-3,7- diazabicyclo[3.3.1]nonan-9-one | 13.51 | O=C4C1CN(CC4CN(C1)C(c2ccccc2)c3ccccc3)C(c5ccccc5)c6ccccc6 | ||
109-06-8 | 2-methylpyridine | 8.1 | 13.28 | Cc1ccccn1 | |
701-56-4 | 4-Methoxy-N,N-dimethylaniline | 12.72 | COc1ccc(cc1)N(C)C | ||
119-65-3 | Isoquinoline | 12.68 | C1=CC=C2C=NC=CC2=C1 | ||
260-94-6 | Acridine | 12.66 | C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 | ||
672-66-2 | dimethylphenylphosphane | 12.64 | CP(C)c1ccccc1 | ||
110-86-1 | Pyridine | 7.4 | 12.53 | c1ccncc1 | |
148-79-8 | Thiabendazole | 12.41 | C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 | ||
2683-82-1 | Octaethylporphine (OEP) | 12.38 | CCc1c2[nH]c(cc3nc(cc4nc(cc5[nH]c(c2)c(CC)c5CC)c(CC)c4CC)c(CC)c3CC)c1CC | ||
366-18-7 | 2,2'-Bipyridine | 12.27 | C1=CC=NC(=C1)C2=CC=CC=N2 | ||
10605-21-7 | Carbendazim | 12.25 | COC(=O)NC1=NC2=CC=CC=C2N1 | ||
99-97-8 | N,N,4-Trimethylbenzenamine | 12.24 | CN(C)c1ccc(C)cc1 | ||
91-22-5 | Quinoline | 11.97 | C1=CC=C2C(=C1)C=CC=N2 | ||
85-02-9 | 5,6-Benzoquinoline | 11.96 | C1=CC=C2C(=C1)C=CC3=C2C=CC=N3 | ||
104-94-9 | 4-methoxyaniline | 8.3 | 11.87 | COc1ccc(N)cc1 | |
253-52-1 | Phthalazine | 11.56 | C1=CC=C2C=NN=CC2=C1 | ||
18978-78-4 | 2-methylquinoline-8-amine | 11.56 | Cc1ccc2cccc(N)c2n1 | ||
121-69-7 | N,N-dimethylaniline | 6.5 | 11.47 | CN(C)c1ccccc1 | |
119-91-5 | 2,2'-Biquinoline | 11.28 | C1=CC=C2C(=C1)C=CC(=N2)C3=NC4=CC=CC=C4C=C3 | ||
138-89-6 | N,N-Dimethyl-4-nitrosoaniline | 11.27 | CN(C)c1ccc(cc1)N=O | ||
15799-79-8 | 3-Dimethylaminoanisole | 11.22 | COc1cccc(c1)N(C)C | ||
1207-69-8 | 9-Chloroacridine | 11.07 | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)Cl | ||
100-61-8 | N-methylaniline | 10.97 | CNc1ccccc1 | ||
230-27-3 | 7,8-Benzoquinoline | 10.85 | C1=CC=C2C(=C1)C=CC3=C2N=CC=C3 | ||
62-53-3 | Aniline | 7.0 | 10.64 | Nc1ccccc1 | |
95-53-4 | 2-methylaniline | 6.9 | 10.49 | Cc1ccccc1N | |
917-23-7 | Tetraphenylporphyrin (TPP) | 10.48 | C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3 | ||
94-52-0 | 5-nitrobenzimidazole | 10.41 | [O-][N+](=O)c1ccc2nc[nH]c2c1 | ||
2193829-25-1 | (CH3)2N-Phenylfulvene | 10.30 | CC(C)(C)C2=CC(=C/C2=C\c1ccc(cc1)N(C)C)C(C)(C)C | ||
7688-25-7 | 1,4-bis(diphenylphosphano)buthane | 10.23 | C(CCP(c1ccccc1)c2ccccc2)CP(c3ccccc3)c4ccccc4 | ||
56396-12-4 | Tetramesitylporphyrin (TMP) | 10.16 | Cc1cc(C)c(n2c3cc4ccc(cc5[nH]c(cc5)cc6ccc(n6)c(c2c(c7c(C)cc(C)cc7C)c3c8c(C)cc(C)cc8C)c9c(C)cc(C)cc9C)n4)c(C)c1 | ||
586-77-6 | 4-Bromo-N,N-dimethylaniline | 10.13 | CN(C)c1ccc(Br)cc1 | ||
855-38-9 | tris(4-methoxyphenyl)phosphane | 10.06 | COc1ccc(cc1)P(c2ccc(OC)cc2)c3ccc(OC)cc3 | ||
289-80-5 | Pyridazine | 10.06 | C1=CC=NN=C1 | ||
1486-28-8 | Methyldiphenylphosphine | 9.97 | CP(c1ccccc1)c2ccccc2 | ||
22112-77-2 | Tetracarboxyphenylporphine (TCPP) | 10.01 | Clc1ccc(cc1)c7c2ccc(n2)c(c3nc(C=C3)c(c4nc(cc4)c(c5ccc(Cl)cc5)c6C=Cc7n6)c8ccc(Cl)cc8)c9cccc(Cl)c9 | ||
1628-89-3 | 2-Methoxypyridine | 4.4 | 9.94 | COc1ccccn1 | |
6737-42-4 | 1,3-bis(diphenylphosphano)propane | 9.84 | C(CP(c1ccccc1)c2ccccc2)CP(c3ccccc3)c4ccccc4 | ||
134-32-7 | 1-naphthylamine | 9.78 | Nc1cccc2ccccc12 | ||
16518-62-0 | 3-Bromo-N,N-dimethylaniline | 9.64 | CN(C)c1cccc(Br)c1 | ||
626-60-8 | 3-chloropyridine | 9.56 | Clc1cccnc1 | ||
106-40-1 | 4-bromoaniline | 5.8 | 9.44 | 5.5 | Nc1ccc(Br)cc1 |
1663-45-2 | 1,2-bis(diphenykphosphano)ethane | 9.38 | C(CP(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4 | ||
253-82-7 | Quinazoline | 9.20 | C1=CC=C2C(=C1)C=NC=N2 | ||
288-13-1 | Pyrazole | 9.1 | C1=CNN=C1 | ||
TPPH+ | 9.0 | C1=Cc8[nH+]c1c(c2nc(cc2)c(c3ccccc3)c4C=Cc(n4)c(c5ccccc5)c6ccc(n6)c8c7ccccc7)c9ccccc9 | |||
7152-80-9 | N,N-Dimethyl-4-thiocyanoaniline | 8.78 | CN(C)c1ccc(SC#N)cc1 | ||
289-95-2 | Pyrimidine | 8.72 | C1=CN=CN=C1 | ||
329-17-9 | N,N-dimethyl-4-(trifluoromethyl)aniline | 8.60 | CN(C)c1ccc(cc1)C(F)(F)F | ||
730-40-5 | 4-(4-NO2-C6H4-N=N)-Aniline | 8.50 | [O-][N+](=O)c2ccc(/N=N/c1ccc(N)cc1)cc2 | ||
TCPPH+ | 8.5 | Clc1cccc(c1)c7c2C=Cc(n2)c(c3nc(cc3)c(c4C=Cc([nH+]4)c(c5ccc(Cl)cc5)c6ccc7n6)c8ccc(Cl)cc8)c9ccc(Cl)cc9 | |||
367-25-9 | 2,4-Difluoroaniline | 8.39 | Nc1ccc(F)cc1F | ||
737830-06-7 | 1,4-bis(diphenylphosphano)buthaneH+ | 8.3 | C(CP(c1ccccc1)c2ccccc2)CC[PH+](c3ccccc3)c4ccccc4 | ||
619-31-8 | N,N-Dimethyl-3-nitroaniline | 8.26 | CN(C)c1cccc(c1)[N+]([O-])=O | ||
187521-32-0 | dimethyl 9-oxo-3,7-di(phenyl)-3,7- diazabicyclo[3.3.1]nonane-1,5-dicarboxylate | 8.14 | O=C(OC)C13CN(CC(CN(C1)c2ccccc2)(C3=O)C(=O)OC)c4ccccc4 | ||
455-14-1 | 4-(Trifluoromethyl)aniline | 8.03 | 4.1 | Nc1ccc(cc1)C(F)(F)F | |
288-36-8 | 1,2,3-Triazole | 8.0 | C1=NNN=C1 | ||
84783-64-2 | BIPHEP | 7.99 | C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6 | ||
95-51-2 | 2-chloroaniline | 7.86 | Nc1ccccc1Cl | ||
OEPH+ | 7.8 | CCC=2c1cc5nc(cc4nc(cc3nc(cc([nH+]1)C=2CC)c(CC)c3CC)C(CC)=C4CC)c(CC)c5CC | |||
98327-87-8 | BINAP | 7.79 | C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8 | ||
290-37-9 | Pyrazine | 7.74 | C1=CN=CC=N1 | ||
99-09-2 | 3-nitroaniline | 7.68 | Nc1cccc(c1)[N+]([O-])=O | ||
364-76-1 | 4-Fluoro-3-nitroaniline | 7.68 | 3.3 | Nc1ccc(F)c(c1)[N+]([O-])=O | |
6231-18-1 | 2,6-Dimethoxypyridine | 7.65 | COc1cccc(OC)n1 | ||
603-35-0 | Triphenylphosphane | 7.62 | c1ccc(cc1)P(c2ccccc2)c3ccccc3 | ||
271-44-3 | Indazole | 7.61 | C1=CC=C2C(=C1)C=NN2 | ||
58-08-2 | Caffeine | 7.51 | CN1C=NC2=C1C(=O)N(C(=O)N2C)C | ||
91-19-0 | Quinoxaline | 7.40 | C1=CC=C2C(=C1)N=CC=N2 | ||
1379660-26-0 | 1,3-bis(diphenylphosphano)propaneH+ | 7.4 | C(CP(c1ccccc1)c2ccccc2)C[PH+](c3ccccc3)c4ccccc4 | ||
TMPH+ | 7.0 | Cc1cc(C)cc(C)c1c7c2C=Cc(n2)c(c3nc(cc3)c(c4C=Cc([nH+]4)c(c5c(C)cc(C)cc5C)c6ccc7n6)c8c(C)cc(C)cc8C)c9c(C)cc(C)cc9C | |||
95-14-7 | Benzotriazole | 6.89 | C1=CC2=NNN=C2C=C1 | ||
3411-48-1 | Tri-1-naphthylphosphine | 6.55 | 7.5 | c1ccc2c(c1)cccc2P(c3cccc4ccccc34)c5cccc6ccccc56 | |
109-09-1 | 2-Chloropyridine | 6.79 | Clc1ccccn1 | ||
552-82-9 | N-methyldiphenylamine | 6.52 | CN(c1ccccc1)c2ccccc2 | ||
100-23-2 | N,N-Dimethyl-4-nitroaniline | 6.46 | CN(C)c1ccc(cc1)[N+]([O-])=O | ||
3034-38-6 | 4-Nitroimidazole | 6.34 | C1=C(NC=N1)[N+](=O)[O-] | ||
100-01-6 | 4-nitroaniline | 6.22 | Nc1ccc(cc1)[N+]([O-])=O | ||
95-82-9 | 2,5-Dichloroaniline | 6.23 | Nc1cc(Cl)ccc1Cl | ||
68914-36-3 | (2-fluorophenyl)(diphenyl)phosphine | 6.11 | 6.5 | Fc3ccccc3P(c1ccccc1)c2ccccc2 | |
122-39-4 | Diphenylamine | 5.98 | N(c1ccccc1)c2ccccc2 | ||
122048-64-0 | 1,2-bis(diphenykphosphano)ethaneH+ | 5.8 | C(CP(c1ccccc1)c2ccccc2)[PH+](c3ccccc3)c4ccccc4 | ||
527-73-1 | 2-Nitroimidazole | 5.55 | C1=CN=C(N1)[N+](=O)[O-] | ||
262425-56-9 | (2,6-difluorophenyl)(diphenyl)phosphine | 5.17 | Fc1cccc(F)c1P(c2ccccc2)c3ccccc3 | ||
608-31-1 | 2,6-Dichloroaniline | 5.07 | Nc1c(Cl)cccc1Cl | ||
5401-94-5 | 5-Nitroindazole | 4.91 | C1=CC2=C(C=C1[N+](=O)[O-])C=NN2 | ||
7597-18-4 | 6-Nitroindazole | 4.87 | C1=CC2=C(C=C1[N+](=O)[O-])NN=C2 | ||
88-74-4 | 2-nitroaniline | 4.80 | 1.1 | Nc1ccccc1[N+]([O-])=O | |
2193829-26-2 | CH3O-Phenylfulvene | 4.56 | 5.9 | CC(C)(C)C2=CC(=C/C2=C\c1ccc(OC)cc1)C(C)(C)C | |
79995-28-1 | bis(2-fluorophenyl)(phenyl)phosphine | 4.56 | 5.2 | Fc1ccccc1P(c2ccccc2)c3ccccc3F | |
1379660-27-1 | BIPHEPH+ | 4.0 | c1ccccc1P(c2ccccc2)c6ccccc6c3ccccc3[PH+](c4ccccc4)c5ccccc5 | ||
89-63-4 | 4-Chloro-2-nitroaniline | 3.68 | Nc1ccc(Cl)cc1[N+]([O-])=O | ||
1379660-28-2 | BINAPH+ | 3.8 | c1cc(c(c2ccccc12)c3c6ccccc6ccc3[PH+](c4ccccc4)c5ccccc5)P(c7ccccc7)c8ccccc8 | ||
121-87-9 | 2-Chloro-4-nitroaniline | 3.65 | -0.4 | Nc1ccc(cc1Cl)[N+]([O-])=O | |
2193829-27-3 | CH3 -Phenylfulvene | 3.50 | 4.8 | CC(C)(C)C2=CC(=C/C2=C\c1ccc(C)cc1)C(C)(C)C | |
66-22-8 | Uracil | 3.36 | C1=CNC(=O)NC1=O | ||
1635-61-6 | 5-Chloro-2-nitroaniline | 3.18 | -0.8 | Nc1cc(Cl)ccc1[N+]([O-])=O | |
84350-73-2 | tris(2-fluorophenyl)phosphine | 3.01 | Fc1ccccc1P(c2ccccc2F)c3ccccc3F | ||
2193829-28-4 | H-Phenylfulvene | 2.90 | 3.9 | CC(C)(C)C2=CC(=C/C2=C\c1ccccc1)C(C)(C)C | |
3481-20-7 | 2,3,5,6-Tetrachloroaniline | 2.72 | -1.2 | Nc1c(Cl)c(Cl)cc(Cl)c1Cl | |
65-71-4 | Thymine | 2.68 | CC1=CNC(=O)NC1=O | ||
2193829-29-5 | Cl-Phenylfulvene | 2.56 | 3.4 | CC(C)(C)C2=CC(=C/C2=C\c1ccc(Cl)cc1)C(C)(C)C | |
5525-95-1 | (pentafluorophenyl)(diphenyl)phosphine | 2.54 | Fc1c(F)c(F)c(P(c2ccccc2)c3ccccc3)c(F)c1F | ||
262425-57-0 | (bis(2,6-difluorophenyl)(phenyl)phosphane | 2.50 | Fc3cccc(F)c3P(c1ccccc1)c2c(F)cccc2F | ||
527-20-8 | Pentachloroaniline | 2.32 | -1.6 | Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl | |
161258-19-1 | tris(2,6-dichlorophenyl)phosphane | 1.70 | 3.7 | Clc1cccc(Cl)c1P(c2c(Cl)cccc2Cl)c3c(Cl)cccc3Cl | |
1589-62-4 | 1-Cyclohexylidene-2-(2,4-dinitrophenyl)hydrazine | 2.7 | [O-][N+](=O)c1ccc(NN=C2CCCCC2)c(c1)[N+]([O-])=O | ||
55-21-0 | Benzamide | 1.8 | NC(=O)c1ccccc1 | ||
2193829-30-8 | CN-Phenylfulvene | 1.7 | CC(C)(C)C2=CC(=C/C2=C\c1ccc(C#N)cc1)C(C)(C)C | ||
619-56-7 | 4-Chlorobenzamide | 1.4 | NC(=O)c1ccc(Cl)cc1 | ||
2193829-31-9 | NO2-Phenylfulvene | 1.3 | CC(C)(C)C2=CC(=C/C2=C\c1ccc(cc1)[N+]([O-])=O)C(C)(C)C | ||
21041-54-3 | tris(2,6-difluorophenyl)phosphane | 0.6 | Fc1cccc(F)c1P(c2c(F)cccc2F)c3c(F)cccc3F | ||
603-34-9 | Triphenylamine | 1.28 | 0 | c1ccc(cc1)N(c2ccccc2)c3ccccc3 | |
93-98-1 | Benzanilide | 0.2 | O=C(Nc1ccccc1)c2ccccc2 | ||
119-75-5 | N-Phenyl-2-nitroaniline | -1.5 | [O-][N+](=O)c1ccccc1Nc2ccccc2 | ||
78600-33-6 | N-(3-Br-phenyl)diphenylamine | -1.7 | C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC(=CC=C3)Br | ||
131-11-3 | Dimethylphthalate | -1.7 | COC(=O)c1ccccc1C(=O)OC | ||
2493-31-4 | N,N-Dimethyl-2,4,6-trinitroaniline | -3.2 | CN(C)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O | ||
25781-92-4 | N-phenyl-5-Cl-2-NO2 Aniline | -3.3 | [O-][N+](=O)c1ccc(Cl)cc1Nc2ccccc2 | ||
97-02-9 | 2,4-Dinitroaniline | -3.9 | Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O | ||
100-09-4 | 4-methoxybenzoic acid | -4.3 | COc1ccc(cc1)C(O)=O | ||
94-26-8 | Butylparaben | -4.6 | CCCCOC(=O)c1ccc(O)cc1 | ||
99-76-3 | Methylparaben | -5.0 | COC(=O)c1ccc(O)cc1 |