Franke, R.; Gruska, A.; Giuliani, A.; Benigni, R. Prediction of rodent carcinogenicity of aromatic amines: a quantitative structure-activity relationships model. Carcinogenesis 2001, 22, 1561–1571.
Compound
| ID: | 62 | |
|---|---|---|
| Name: | o-Toluidine dihydrochloride | |
| Description: | Changed name from the original 3,3'-Dimethylbenzidine to o-Toluidine dihydrochloride. The authors most likely used the cation for the calculations. | |
| Labels: | ||
| CAS: | 612-82-8 | |
| InChi Code: | InChI=1S/C14H16N2.2ClH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H |
Properties
Carcinogenicity: Class: C - Carcinogenic, nC -non-Carcinogenic
| Value | Source or prediction |
|---|---|
| C |
experimental value |
| C |
Eq.5: Carcinogenic class of aromatic amines (Training set.) |
Potency: Carcinogenic potency as log(MW/TD50) [log((mol/kg)/TD50)]
| Value | Source or prediction |
|---|---|
| 30.278359 |
experimental value |