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

Details

Stereochemistry RACEMIC
Molecular Formula C4H4N2O
Molecular Weight 96.0874
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MALONITRILE

SMILES

OC(CC#N)C#N

InChI

InChIKey=JXPDNDHCMMOJPC-UHFFFAOYSA-N
InChI=1S/C4H4N2O/c5-2-1-4(7)3-6/h4,7H,1H2

HIDE SMILES / InChI

Molecular Formula C4H4N2O
Molecular Weight 96.0874
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 Mon Mar 31 23:37:19 GMT 2025
Edited
by admin
on Mon Mar 31 23:37:19 GMT 2025
Record UNII
EIP19FB2YL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MALONITRILE
Systematic Name English
BUTANEDINITRILE, 2-HYDROXY-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID101312928
Created by admin on Mon Mar 31 23:37:19 GMT 2025 , Edited by admin on Mon Mar 31 23:37:19 GMT 2025
PRIMARY
PUBCHEM
21253562
Created by admin on Mon Mar 31 23:37:19 GMT 2025 , Edited by admin on Mon Mar 31 23:37:19 GMT 2025
PRIMARY
FDA UNII
EIP19FB2YL
Created by admin on Mon Mar 31 23:37:19 GMT 2025 , Edited by admin on Mon Mar 31 23:37:19 GMT 2025
PRIMARY
CAS
4341-85-9
Created by admin on Mon Mar 31 23:37:19 GMT 2025 , Edited by admin on Mon Mar 31 23:37:19 GMT 2025
PRIMARY