2-Amino-3'-hydroxy-acetophenone Hydrochloride - CAS 14665-75-9

Catalog:	BB074746
Product Name:	2-Amino-3'-hydroxy-acetophenone Hydrochloride
CAS:	14665-75-9
Synonyms:	2-(3-Hydroxyphenyl)-2-oxoethanamine Hydrochloride

Technical Data

IUPAC Name:	2-amino-1-(3-hydroxyphenyl)ethanonehydrochloride
Description:	2-Amino-3'-hydroxy-acetophenone Hydrochloride is a reactant in the synthesis of TRPM8 modulators.
Molecular Weight:	151.16 + (36.46)
Molecular Formula:	C8H9NO2·(HCl)
Canonical SMILES:	C1=CC(=CC(=C1)O)C(=O)CN.Cl
InChI:	InChI=1S/C8H9NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,10H,5,9H21H
InChI Key:	KNXFQMJCHAKLKF-UHFFFAOYSA-N
Melting Point:	>189°C (dec.)
Solubility:	DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Appearance:	Pale Beige to Brown Solid
Storage:	-20°C, Hygroscopic
References:	PCT Int. Appl. (2014), WO 2014130582 A2 20140828.

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.0400063
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	187.0400063
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0