Ethyl 3-Amino-4-methylbenzoate - CAS 41191-92-8

Catalog:	BB024809
Product Name:	Ethyl 3-Amino-4-methylbenzoate
CAS:	41191-92-8
Synonyms:	3-amino-4-methylbenzoic acid ethyl ester; ethyl 3-amino-4-methylbenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 3-amino-4-methylbenzoate
Description:	Ethyl 3-Amino-4-methylbenzoate (CAS# 41191-92-8) is a useful research chemical.
Molecular Weight:	179.22
Molecular Formula:	C10H13NO2
Canonical SMILES:	CCOC(=O)C1=CC(=C(C=C1)C)N
InChI:	InChI=1S/C10H13NO2/c1-3-13-10(12)8-5-4-7(2)9(11)6-8/h4-6H,3,11H2,1-2H3
InChI Key:	MCNBNDUVWQEKNZ-UHFFFAOYSA-N
Boiling Point:	310.065 °C at 760 mmHg
Density:	1.104 g/cm³
Appearance:	Light beige powder
LogP:	2.33510

Publication Number	Title	Priority Date
WO-2020113028-A1	Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders	20181127
JP-2020002108-A	Method for producing benzoic acid compound	20180629
WO-2019196802-A1	Crystal form of 3-(4-methyl-1h-imidazol-1-yl)-5-trifluoromethylaniline monohydrochloride and use thereof	20180410
EP-3782988-A1	Crystal form of 3-(4-methyl-1h-imidazol-1-yl)-5-trifluoromethylaniline monohydrochloride and use thereof	20180410
US-2021139433-A1	Crystal form of 3-(4-methyl-1h-imidazol-1-yl)-5-trifluoromethylaniline monohydrochloride and use thereof	20180410

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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:	182
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:	3
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1