4-Amino-3-methylbenzoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H9NO2
Molecular Weight	151.1626
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Amino-3-methylbenzoic acid

Structure Search

SMILES

CC1=C(N)C=CC(=C1)C(O)=O

InChI

InChIKey=NHFKECPTBZZFBC-UHFFFAOYSA-N

InChI=1S/C8H9NO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,9H2,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C8H9NO2
Molecular Weight	151.1626
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
Methyl 4-amino-3-methyl-benzoate.	2008-04-23	21202370
Ethyl 4-amino-3-methyl-benzoate.	2008-04-02	21202278
Prediction of genotoxicity of chemical compounds by statistical learning methods.	2005-06	15962942

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:23:45 GMT 2025` Edited by `admin` on `Mon Mar 31 19:23:45 GMT 2025`
Record UNII	201CXT4H5V
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-227945

Preferred Name

English

4-Amino-3-methylbenzoic acid

Systematic Name

English

BENZOIC ACID, 4-AMINO-3-METHYL-

Common Name

English

M-TOLUIC ACID, 4-AMINO-

Common Name

English

3-METHYL-4-AMINOBENZOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

75598

Created by admin on Mon Mar 31 19:23:45 GMT 2025 , Edited by admin on Mon Mar 31 19:23:45 GMT 2025

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FDA UNII

201CXT4H5V

Created by admin on Mon Mar 31 19:23:45 GMT 2025 , Edited by admin on Mon Mar 31 19:23:45 GMT 2025

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EPA CompTox

DTXSID40179562

Created by admin on Mon Mar 31 19:23:45 GMT 2025 , Edited by admin on Mon Mar 31 19:23:45 GMT 2025

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CAS

2486-70-6

Created by admin on Mon Mar 31 19:23:45 GMT 2025 , Edited by admin on Mon Mar 31 19:23:45 GMT 2025

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ECHA (EC/EINECS)

219-629-9

Created by admin on Mon Mar 31 19:23:45 GMT 2025 , Edited by admin on Mon Mar 31 19:23:45 GMT 2025

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NSC

227945

Created by admin on Mon Mar 31 19:23:45 GMT 2025 , Edited by admin on Mon Mar 31 19:23:45 GMT 2025

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