1,2,3,4-Tetrahydroquinolin-3-amine Hydrochloride - CAS 79867-97-3

Catalog:	BB057100
Product Name:	1,2,3,4-Tetrahydroquinolin-3-amine Hydrochloride
CAS:	79867-97-3
Synonyms:	1,2,3,4-Tetrahydro-3-quinolinamine Dihydrochloride; (±)-1,2,3,4-Tetrahydro-3-quinolinamine Dihydrochloride

Technical Data

IUPAC Name:	1,2,3,4-tetrahydroquinolin-3-aminedihydrochloride
Description:	1,2,3,4-Tetrahydroquinolin-3-amine Hydrochloride is used in the preparation of state-dependant NaV1.7 inhibitors for the treatment of neuropathic pain.
Molecular Weight:	148.20 + (36.45)
Molecular Formula:	C9H12N2·HCl
Canonical SMILES:	C1C(CNC2=CC=CC=C21)N.Cl.Cl
InChI:	InChI=1S/C9H12N2.2ClH/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4,8,11H,5-6,10H22*1H
InChI Key:	AHOUTZAHHNCGSP-UHFFFAOYSA-N
References:	Tanaka, K. et al. Chem. Pharm. Bull., 68, 653 (2020).

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.0534038
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	220.0534038
Rotatable Bond Count:	0
Topological Polar Surface Area:	38Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0