2'-Amino-4'-methoxy-3'-methylacetophenone - CAS 912347-94-5

Catalog:	BB040083
Product Name:	2'-Amino-4'-methoxy-3'-methylacetophenone
CAS:	912347-94-5
Synonyms:	1-(2-amino-4-methoxy-3-methylphenyl)ethanone; 1-(2-amino-4-methoxy-3-methylphenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(2-amino-4-methoxy-3-methylphenyl)ethanone
Description:	2'-Amino-4'-methoxy-3'-methylacetophenone (CAS# 912347-94-5) is a useful research chemical.
Molecular Weight:	179.22
Molecular Formula:	C10H13NO2
Canonical SMILES:	CC1=C(C=CC(=C1N)C(=O)C)OC
InChI:	InChI=1S/C10H13NO2/c1-6-9(13-3)5-4-8(7(2)12)10(6)11/h4-5H,11H2,1-3H3
InChI Key:	VXBGCEDOGYNWHE-UHFFFAOYSA-N
Boiling Point:	336.02 °C at 760 mmHg
Density:	1.096 g/cm³
MDL:	MFCD11042290
LogP:	2.36960

Publication Number	Title	Priority Date
WO-2016127859-A1	Compounds as hepatitis c inhibitors and uses thereof in medicine	20150213
US-2014275520-A1	Process for making a 4-amino-4-oxobutanoyl peptide cyclic analogue, an inhibitor of viral replication, and intermediates thereof	20130315
US-9006423-B2	Process for making a 4-amino-4-oxobutanoyl peptide cyclic analogue, an inhibitor of viral replication, and intermediates thereof	20130315
WO-2014145507-A1	A process for making a 4-amino-4-oxobutanoyl peptide cyclic analogue, an inhibitor of viral replication, and intermediates thereof	20130315
CN-102531932-A	Preparation method of important intermediate of hepatitis c virus (HCV) protease inhibitor	20111104

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.094628657
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.094628657
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8