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:	9
	Name:	4,4'-Methylenedianiline dihydrochloride
	Description:	Changed name from the original 4,4'-Methylenedianiline . HCl to 4,4'-Methylenedianiline dihydrochloride. The authors most likely used the cation for the calculations.
	Labels:
	CAS:	13552-44-8
	InChi Code:	InChI=1S/C13H14N2.2ClH/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;;/h1-8H,9,14-15H2;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
31.141457	experimental value

Links to External Resources

Link	Resource description
DTXSID9020871	US EPA CompTox Dashboard