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

Details

Stereochemistry RACEMIC
Molecular Formula C10H11NO2
Molecular Weight 177.1998
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APAA

SMILES

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

InChI

InChIKey=FBISRXJSJBLOHX-UHFFFAOYSA-N
InChI=1S/C10H11NO2/c1-7(12)9(10(11)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,11,13)

HIDE SMILES / InChI

Molecular Formula C10H11NO2
Molecular Weight 177.1998
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:48:25 GMT 2023
Edited
by admin
on Sat Dec 16 19:48:25 GMT 2023
Record UNII
7QWS9VSA3U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APAA
Common Name English
Acetoacetamide, 2-phenyl-
Systematic Name English
α-(1-Hydroxyethylidene)benzeneacetamide
Systematic Name English
2-Phenyl-3-oxobutanamide
Systematic Name English
Alpha-Phenylacetoacetamide
Systematic Name English
3-hydroxy-2-phenylbut-2-enamide
Systematic Name English
Benzeneacetamide, α-acetyl-
Systematic Name English
3-Oxo-2-phenylbutanamide
Systematic Name English
Classification Tree Code System Code
DEA NO. 8515
Created by admin on Sat Dec 16 19:48:25 GMT 2023 , Edited by admin on Sat Dec 16 19:48:25 GMT 2023
Code System Code Type Description
CAS
4433-77-6
Created by admin on Sat Dec 16 19:48:25 GMT 2023 , Edited by admin on Sat Dec 16 19:48:25 GMT 2023
PRIMARY
CAS
99060-10-3
Created by admin on Sat Dec 16 19:48:25 GMT 2023 , Edited by admin on Sat Dec 16 19:48:25 GMT 2023
ALTERNATIVE
PUBCHEM
12541433
Created by admin on Sat Dec 16 19:48:25 GMT 2023 , Edited by admin on Sat Dec 16 19:48:25 GMT 2023
PRIMARY
FDA UNII
7QWS9VSA3U
Created by admin on Sat Dec 16 19:48:25 GMT 2023 , Edited by admin on Sat Dec 16 19:48:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY