3,3-Dimethyl-1-phenylbutan-1-amine Hydrochloride - CAS 671-11-4

Catalog:	BB068527
Product Name:	3,3-Dimethyl-1-phenylbutan-1-amine Hydrochloride
CAS:	671-11-4
Synonyms:	α-(2,2-Dimethylpropyl)-benzenemethanamine Hydrochloride; α-Neopentyl-benzylamine Hydrochloride

Technical Data

IUPAC Name:	3,3-dimethyl-1-phenylbutan-1-aminehydrochloride
Description:	3,3-Dimethyl-1-phenylbutan-1-amine Hydrochloride can be useful in the synthesis of dinuclear acetato- and chloro-bridged complexes via cyclopalladation. It is a salt analog of 3,3-Dimethyl-1-phenylbutan-1-amine (CAT# D591105), which may be useful in the preparation of 2-(1,1'-biphenyl)-1H-benzo[d]imidazole derivatives and related compounds as apelin and APJ agonists for treating cardiovascular diseases.
Molecular Weight:	213.75
Molecular Formula:	C12H19N·HCl
Canonical SMILES:	CC(C)(C)CC(C1=CC=CC=C1)N.Cl
InChI:	InChI=1S/C12H19N.ClH/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H31H
InChI Key:	LCIYTGSFVYCXOM-UHFFFAOYSA-N
References:	Fuchita, Y., et al. Inorg. Chim. Acta, 233, 91 (1995); Su, S., et al. PCT Int. Appl., 169pp. (2019).

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.1284273
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	213.1284273
Rotatable Bond Count:	3
Topological Polar Surface Area:	26Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0