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:	22
	Name:	1,​4-​Benzenediamine, 2-​methyl-​, sulfate
	Description:	Changed name from the original 5-Tolueneidamine sulfate to 1,​4-​Benzenediamine, 2-​methyl-​, sulfate. The authors most likely used the cation for the calculations.
	Labels:
	CAS:	6369-59-1
	InChi Code:	InChI=1S/C7H10N2.H2O4S/c1-5-4-6(8)2-3-7(5)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)

Properties

Carcinogenicity: Class: C - Carcinogenic, nC -non-Carcinogenic

Value	Source or prediction
nC	experimental value
nC	Eq.5: Carcinogenic class of aromatic amines (Training set.)

Potency: Carcinogenic potency as log(MW/TD50) [log((mol/kg)/TD50)]

Value	Source or prediction
28.312969	experimental value