4-Methyl-1',2'-methylamino-trans-2'-methylstyrene Hydrochloride - CAS 1217250-37-7

Catalog:	BB059570
Product Name:	4-Methyl-1',2'-methylamino-trans-2'-methylstyrene Hydrochloride
CAS:	1217250-37-7
Synonyms:	4-Methyl-1',2'-methylamino-trans-2'-methylstyrene Hydrochloride; (E)-1-N,2-N-Dimethyl-1-(4-methylphenyl)prop-1-ene-1,2-diamine; hydrochloride; (1E)-N~1~,N~2~-Dimethyl-1-(4-methylphenyl)prop-1-ene-1,2-diamine--hydrogen chloride (1/1); 4-Methyl-1 inverted exclamation mark ,2 inverted exclamation mark -methylamino-trans-2 inverted exclamation mark -methylstyrene Hydrochloride

Technical Data

IUPAC Name:	(E)-1-N,2-N-dimethyl-1-(4-methylphenyl)prop-1-ene-1,2-diaminehydrochloride
Description:	A byproduct of the commerical synthesis of Mephedrone
Molecular Weight:	226.75
Molecular Formula:	C12H19ClN2
Canonical SMILES:	CC1=CC=C(C=C1)C(=C(C)NC)NC.Cl
InChI:	InChI=1S/C12H18N2.ClH/c1-9-5-7-11(8-6-9)12(14-4)10(2)13-3/h5-8,13-14H,1-4H31H/b12-10+
InChI Key:	WUXQRYHIKCHQES-VHPXAQPISA-N

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	226.1236763
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	226.1236763
Rotatable Bond Count:	3
Topological Polar Surface Area:	24.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0