1,2,3,4-Tetrahydro-isoquinolin-4-ol Hydrochloride - CAS 13691-36-6

Name: 1,2,3,4-Tetrahydro-isoquinolin-4-ol Hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB056891
Product Name:	1,2,3,4-Tetrahydro-isoquinolin-4-ol Hydrochloride
CAS:	13691-36-6
Synonyms:	(±)-1,2,3,4-Tetrahydro-4-isoquinolinol Hydrochloride;4-Hydroxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride

Technical Data

IUPAC Name:	1,2,3,4-tetrahydroisoquinolin-4-olhydrochloride
Description:	1,2,3,4-Tetrahydro-isoquinolin-4-ol hydrochloride (cas# 13691-36-6) has potential use in pharmaceutical composition and their use as medicaments.
Molecular Weight:	149.19 + 36.46
Molecular Formula:	C9H11NO·HCl
Canonical SMILES:	C1C(C2=CC=CC=C2CN1)O.Cl
InChI:	InChI=1S/C9H11NO.ClH/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-4,9-11H,5-6H21H
InChI Key:	GMTJSBDABPOTQP-UHFFFAOYSA-N
Melting Point:	150 - 155°C
Solubility:	DMSO (Slightly), Methanol (Slightly, Sonicated)
Appearance:	Off-White to Light Beige Solid
Storage:	-20°C Freezer, Under inert atmosphere
References:	Effland, R. C., et al. Eur. Pat. Appl. 51 pp. (1982).

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0607417
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	185.0607417
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0