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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H14N2O
Molecular Weight 178.231
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-ACETYL-4-METHYLHEPTANEDINITRILE

SMILES

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

InChI

InChIKey=XWNSFEAWWGGSKJ-UHFFFAOYSA-N
InChI=1S/C10H14N2O/c1-9(13)10(2,5-3-7-11)6-4-8-12/h3-6H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4-ACETYL-4-METHYLHEPTANEDINITRILE
Systematic Name English
4-ACETYL-4-METHYLPIMELONITRILE
Systematic Name English
NSC-404930
Code English
NSC-2767
Code English
HEPTANEDINITRILE, 4-ACETYL-4-METHYL-
Systematic Name English
2,2-BIS(.BETA.-CYANOETHYL)-3-BUTANONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID4075116
Created by admin on Sat Dec 16 12:54:59 GMT 2023 , Edited by admin on Sat Dec 16 12:54:59 GMT 2023
PRIMARY
NSC
404930
Created by admin on Sat Dec 16 12:54:59 GMT 2023 , Edited by admin on Sat Dec 16 12:54:59 GMT 2023
PRIMARY
CAS
1681-17-0
Created by admin on Sat Dec 16 12:54:59 GMT 2023 , Edited by admin on Sat Dec 16 12:54:59 GMT 2023
PRIMARY
NSC
2767
Created by admin on Sat Dec 16 12:54:59 GMT 2023 , Edited by admin on Sat Dec 16 12:54:59 GMT 2023
PRIMARY
PUBCHEM
15515
Created by admin on Sat Dec 16 12:54:59 GMT 2023 , Edited by admin on Sat Dec 16 12:54:59 GMT 2023
PRIMARY
FDA UNII
4Q44E9MB5R
Created by admin on Sat Dec 16 12:54:59 GMT 2023 , Edited by admin on Sat Dec 16 12:54:59 GMT 2023
PRIMARY