U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H11NO4
Molecular Weight 209.1986
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dimethyl 4-aminophthalate

SMILES

COC(=O)C1=CC=C(N)C=C1C(=O)OC

InChI

InChIKey=NTBHQNDXAJXRPU-UHFFFAOYSA-N
InChI=1S/C10H11NO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H11NO4
Molecular Weight 209.1986
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 Sat Dec 16 12:27:14 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:14 GMT 2023
Record UNII
PRN7CAV7ZX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Dimethyl 4-aminophthalate
Systematic Name English
1,2-Benzenedicarboxylic acid, 4-amino-, dimethyl ester
Systematic Name English
AI3-14780
Code English
NSC-41699
Code English
1,2-Benzenedicarboxylic acid, 4-amino-, 1,2-dimethyl ester
Systematic Name English
Phthalic acid, 4-amino-, dimethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
PRN7CAV7ZX
Created by admin on Sat Dec 16 12:27:14 GMT 2023 , Edited by admin on Sat Dec 16 12:27:14 GMT 2023
PRIMARY
CAS
51832-31-6
Created by admin on Sat Dec 16 12:27:14 GMT 2023 , Edited by admin on Sat Dec 16 12:27:14 GMT 2023
PRIMARY
ECHA (EC/EINECS)
257-460-2
Created by admin on Sat Dec 16 12:27:14 GMT 2023 , Edited by admin on Sat Dec 16 12:27:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID80199789
Created by admin on Sat Dec 16 12:27:14 GMT 2023 , Edited by admin on Sat Dec 16 12:27:14 GMT 2023
PRIMARY
NSC
41699
Created by admin on Sat Dec 16 12:27:14 GMT 2023 , Edited by admin on Sat Dec 16 12:27:14 GMT 2023
PRIMARY
PUBCHEM
95886
Created by admin on Sat Dec 16 12:27:14 GMT 2023 , Edited by admin on Sat Dec 16 12:27:14 GMT 2023
PRIMARY