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:	56
	Name:	2,4,6-Trimethylanilinium chloride
	Description:	Changed name from the original 2,4,6-Trimethylalinine · HCl to 2,4,6-Trimethylanilinium chloride. The authors most likely used the cation for the calculations.
	Labels:
	CAS:	6334-11-8
	InChi Code:	InChI=1S/C9H13N.ClH/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;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
31.811782	experimental value