Methyl 3-Aminophenylacetate Hydrochloride - CAS 150319-83-8

Catalog:	BB010520
Product Name:	Methyl 3-Aminophenylacetate Hydrochloride
CAS:	150319-83-8
Synonyms:	2-(3-aminophenyl)acetic acid methyl ester;hydrochloride; methyl 2-(3-aminophenyl)acetate;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-(3-aminophenyl)acetate;hydrochloride
Description:	Methyl 3-Aminophenylacetate Hydrochloride (CAS# 150319-83-8) is a useful research chemical.
Molecular Weight:	201.65
Molecular Formula:	C9H12ClNO2
Canonical SMILES:	COC(=O)CC1=CC(=CC=C1)N.Cl
InChI:	InChI=1S/C9H11NO2.ClH/c1-12-9(11)6-7-3-2-4-8(10)5-7;/h2-5H,6,10H2,1H3;1H
InChI Key:	OOGVJPZOIXNNHQ-UHFFFAOYSA-N
LogP:	2.36750

Publication Number	Title	Priority Date
CA-2721098-C	Oxo-heterocyclic substituted carboxylic acid derivates and the use thereof	20080414
US-2011034450-A1	Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof	20080414
US-8987256-B2	Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof	20080414
WO-2009022182-A1	Depsipeptide derivatives and their therapeutic use	20070813
EP-1646613-A1	Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors	20030718

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Related Functional Groups

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.0556563
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	201.0556563
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0