Name: 2-Amino-1-(2-methoxyphenyl)ethanone hydrochloride - ≥98% , CAS No.34589-97-4
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Alpha-amino ketones Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-aminoketone - Ether - Primary amine - Amine - Organonitrogen compound - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	201.650 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	201.056 Da
Monoisotopic Mass	201.056 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	159.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Solution Calculators

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Reviews

Canonical Smiles	COC1=CC=CC=C1C(=O)CN.Cl
IUPAC Name	2-amino-1-(2-methoxyphenyl)ethanone;hydrochloride
InChIKey	NRLXHBFFYMPJPL-UHFFFAOYSA-N
INCHI	1S/C9H11NO2.ClH/c1-12-9-5-3-2-4-7(9)8(11)6-10;/h2-5H,6,10H2,1H3;1H
Isomeric SMILES	COC1=CC=CC=C1C(=O)CN.Cl
Molecular Weight	201.65
Reaxy-Rn	14225666
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14225666&ln=

2-Amino-1-(2-methoxyphenyl)ethanone hydrochloride - ≥98% , CAS No.34589-97-4

Specifications