Methyl 4-Aminophenylacetate - CAS 39552-81-3

Name: Methyl 4-Aminophenylacetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024028
Product Name:	Methyl 4-Aminophenylacetate
CAS:	39552-81-3
Synonyms:	2-(4-aminophenyl)acetic acid methyl ester; methyl 2-(4-aminophenyl)acetate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	methyl 2-(4-aminophenyl)acetate
Description:	Methyl 4-Aminophenylacetate (CAS# 39552-81-3) is a useful research chemical.
Molecular Weight:	165.19
Molecular Formula:	C9H11NO2
Canonical SMILES:	COC(=O)CC1=CC=C(C=C1)N
InChI:	InChI=1S/C9H11NO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6,10H2,1H3
InChI Key:	TVIVLENJTXGRAM-UHFFFAOYSA-N
Boiling Point:	96-100 °C / 0.07 mmHg
Density:	1.143 g/cm³
Appearance:	Liquid
LogP:	1.56550

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111777520-A	Synthesis method of multi-substituted dimethylamino phenyl acetic acid compound	20200722
CN-111116539-A	Fluorescent probe with dual response to viscosity and pH of lysosome in cancer cell, preparation method and application	20200109
CN-111116539-B	Fluorescent probe with dual response to viscosity and pH of lysosome in cancer cell, preparation method and application	20200109
WO-2021129584-A1	Pd-l1 antagonist compound	20191226
KR-20210081285-A	Novel Amide Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2	20191223

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.078978594
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.078978594
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1