(4-([2-(Dimethylamino)ethyl]amino)phenyl)methanamine - CAS 951905-26-3

Catalog:	BB067287
Product Name:	(4-([2-(Dimethylamino)ethyl]amino)phenyl)methanamine
CAS:	951905-26-3
Synonyms:	N2-[4-(Aminomethyl)phenyl]-N1,N1-dimethyl-1,2-ethanediamine

Technical Data

IUPAC Name:	N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
Description:	(4-([2-(Dimethylamino)ethyl]amino)phenyl)methanamine is synthesized from 4-fluorobenzonitrile (F588375) and N,N-dimethylethanediamine (D472770). N,N-Dimethylethanediamine is a versatile ethylenediamine derivative used as an intermediate in the organic synthesis of neurochemicals, antitumor agents and other pharmaceutical compounds.
Molecular Weight:	193.29
Molecular Formula:	C11H19N3
Canonical SMILES:	CN(C)CCNC1=CC=C(C=C1)CN
InChI:	InChI=1S/C11H19N3/c1-14(2)8-7-13-11-5-3-10(9-12)4-6-11/h3-6,13H,7-9,12H2,1-2H3
InChI Key:	CKHNOFPVRNVWQF-UHFFFAOYSA-N
References:	Squires, R.F. et al. Neurochem. Res., 18, 787 (1993); Murdock, K.C. et al. J. Med. Chem., 22, 1024 (1974).

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.157897619
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	193.157897619
Rotatable Bond Count:	5
Topological Polar Surface Area:	41.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8