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: | 53 | |
|---|---|---|
| Name: | o-Phenylenediamine dihydrochloride | |
| Description: | Changed name from the original o-Phenylenediamine · 2HCl to o-Phenylenediamine dihydrochloride. The authors most likely used the cation for the calculations. | |
| Labels: | ||
| CAS: | 615-28-1 | |
| InChi Code: | InChI=1S/C6H8N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h1-4H,7-8H2;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 |
|---|---|
| 29.376852 |
experimental value |