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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13NO2
Molecular Weight 179.2157
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=MCNBNDUVWQEKNZ-UHFFFAOYSA-N
InChI=1S/C10H13NO2/c1-3-13-10(12)8-5-4-7(2)9(11)6-8/h4-6H,3,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H13NO2
Molecular Weight 179.2157
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 20:54:10 GMT 2025
Edited
by admin
on Wed Apr 02 20:54:10 GMT 2025
Record UNII
J57T9XUB43
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Amino-4-methylbenzoic acid ethyl ester
Preferred Name English
Ethyl 3-amino-4-methylbenzoate
Systematic Name English
Benzoic acid, 3-amino-4-methyl-, ethyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30504228
Created by admin on Wed Apr 02 20:54:10 GMT 2025 , Edited by admin on Wed Apr 02 20:54:10 GMT 2025
PRIMARY
PUBCHEM
12607966
Created by admin on Wed Apr 02 20:54:10 GMT 2025 , Edited by admin on Wed Apr 02 20:54:10 GMT 2025
PRIMARY
FDA UNII
J57T9XUB43
Created by admin on Wed Apr 02 20:54:10 GMT 2025 , Edited by admin on Wed Apr 02 20:54:10 GMT 2025
PRIMARY
CAS
41191-92-8
Created by admin on Wed Apr 02 20:54:10 GMT 2025 , Edited by admin on Wed Apr 02 20:54:10 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY