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Details

Stereochemistry ACHIRAL
Molecular Formula C9H11NO2
Molecular Weight 165.1891
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-amino-3-methylbenzoate

SMILES

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

InChI

InChIKey=ZHIPSMIKSRYZFV-UHFFFAOYSA-N
InChI=1S/C9H11NO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H11NO2
Molecular Weight 165.1891
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:46:34 GMT 2025
Edited
by admin
on Wed Apr 02 19:46:34 GMT 2025
Record UNII
33QH544GRX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4-(Methoxycarbonyl)-2-methylphenyl)amine
Preferred Name English
Methyl 4-amino-3-methylbenzoate
Systematic Name English
4-Amino-3-methylbenzoic acid methyl ester
Systematic Name English
Methyl 3-methyl-4-aminobenzoate
Systematic Name English
Benzoic acid, 4-amino-3-methyl-, methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
2736799
Created by admin on Wed Apr 02 19:46:34 GMT 2025 , Edited by admin on Wed Apr 02 19:46:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID70371613
Created by admin on Wed Apr 02 19:46:34 GMT 2025 , Edited by admin on Wed Apr 02 19:46:34 GMT 2025
PRIMARY
FDA UNII
33QH544GRX
Created by admin on Wed Apr 02 19:46:34 GMT 2025 , Edited by admin on Wed Apr 02 19:46:34 GMT 2025
PRIMARY
CAS
18595-14-7
Created by admin on Wed Apr 02 19:46:34 GMT 2025 , Edited by admin on Wed Apr 02 19:46:34 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT