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: | 57 | |
|---|---|---|
| Name: | p-Toluidine hydrochloride | |
| Description: | Changed name form the original p-Toluidine · HCl to p-Toluidine hydrochloride. The authors most likely used the cation for the calculations. | |
| Labels: | ||
| CAS: | 540-23-8 | |
| InChi Code: | InChI=1S/C7H9N.ClH/c1-6-2-4-7(8)5-3-6;/h2-5H,8H2,1H3;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 |
|---|---|
| 29.913306 |
experimental value |