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Details

Stereochemistry ACHIRAL
Molecular Formula C13H17NO3.ClH
Molecular Weight 271.74
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isopropyl 3-(4-aminobenzoyl)propionate hydrochloride

SMILES

Cl.CC(C)OC(=O)CCC(=O)C1=CC=C(N)C=C1

InChI

InChIKey=YVKJHVBLLDCFIQ-UHFFFAOYSA-N
InChI=1S/C13H17NO3.ClH/c1-9(2)17-13(16)8-7-12(15)10-3-5-11(14)6-4-10;/h3-6,9H,7-8,14H2,1-2H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Isopropyl 3-(4-aminobenzoyl)propionate hydrochloride
Systematic Name English
1-Methylethyl 4-amino-?-oxobenzenebutanoate hydrochloride
Preferred Name English
Benzenebutanoic acid, 4-amino-?-oxo-, 1-methylethyl ester, hydrochloride
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
299-079-4
Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025
PRIMARY
PUBCHEM
3022642
Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID30239780
Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025
PRIMARY
CAS
93843-02-8
Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025
PRIMARY
FDA UNII
PNA2UK79TB
Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025
PRIMARY
NIH
NCATS
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