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

Details

Stereochemistry RACEMIC
Molecular Formula C10H9NO
Molecular Weight 159.1846
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of APAAN

SMILES

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

InChI

InChIKey=KHNWFTMUBKJWRZ-UHFFFAOYSA-N
InChI=1S/C10H9NO/c1-8(12)10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
APAAN
Common Name English
.ALPHA.-ACETYLPHENYLACETONITRILE
Systematic Name English
UN3439
Code English
ALPHA-PHENYLACETOACETONILTRILE
Common Name English
NSC-25183
Code English
2-PHENYLACETOACETONITRILE
Common Name English
BENZENEACETONITRILE, ALPHA-ACETYL-
Systematic Name English
NSC-55206
Code English
NSC-11777
Code English
DEA NO. 8512
Code English
2-ACETYL-2-PHENYLACETONITRILE
Systematic Name English
Classification Tree Code System Code
DEA NO. 8512
Created by admin on Sat Dec 16 12:57:33 GMT 2023 , Edited by admin on Sat Dec 16 12:57:33 GMT 2023
Code System Code Type Description
NSC
25183
Created by admin on Sat Dec 16 12:57:33 GMT 2023 , Edited by admin on Sat Dec 16 12:57:33 GMT 2023
PRIMARY
NSC
55206
Created by admin on Sat Dec 16 12:57:33 GMT 2023 , Edited by admin on Sat Dec 16 12:57:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID70863402
Created by admin on Sat Dec 16 12:57:33 GMT 2023 , Edited by admin on Sat Dec 16 12:57:33 GMT 2023
PRIMARY
FDA UNII
302PX39407
Created by admin on Sat Dec 16 12:57:33 GMT 2023 , Edited by admin on Sat Dec 16 12:57:33 GMT 2023
PRIMARY
CAS
4468-48-8
Created by admin on Sat Dec 16 12:57:33 GMT 2023 , Edited by admin on Sat Dec 16 12:57:33 GMT 2023
PRIMARY
NSC
11777
Created by admin on Sat Dec 16 12:57:33 GMT 2023 , Edited by admin on Sat Dec 16 12:57:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-737-4
Created by admin on Sat Dec 16 12:57:33 GMT 2023 , Edited by admin on Sat Dec 16 12:57:33 GMT 2023
PRIMARY
PUBCHEM
20547
Created by admin on Sat Dec 16 12:57:33 GMT 2023 , Edited by admin on Sat Dec 16 12:57:33 GMT 2023
PRIMARY