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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12N4O2
Molecular Weight 220.2279
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-CYANOETHYL)-4-NITROHEPTANEDINITRILE

SMILES

[O-][N+](=O)C(CCC#N)(CCC#N)CCC#N

InChI

InChIKey=MUPJJZVGSOUSFH-UHFFFAOYSA-N
InChI=1S/C10H12N4O2/c11-7-1-4-10(14(15)16,5-2-8-12)6-3-9-13/h1-6H2

HIDE SMILES / InChI

Molecular Formula C10H12N4O2
Molecular Weight 220.2279
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:40:50 GMT 2025
Edited
by admin
on Tue Apr 01 17:40:50 GMT 2025
Record UNII
E352DQR73S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2-CYANOETHYL)-4-NITROHEPTANEDINITRILE
Systematic Name English
NSC-680512
Preferred Name English
4-(2-CYANOETHYL)-4-NITRO-1,7-HEPTANEDINITRILE
Systematic Name English
HEPTANEDINITRILE, 4-(2-CYANOETHYL)-4-NITRO-
Systematic Name English
TRIS(2-CYANOETHYL)NITROMETHANE
Systematic Name English
Code System Code Type Description
CAS
1466-48-4
Created by admin on Tue Apr 01 17:40:50 GMT 2025 , Edited by admin on Tue Apr 01 17:40:50 GMT 2025
PRIMARY
ECHA (EC/EINECS)
215-983-3
Created by admin on Tue Apr 01 17:40:50 GMT 2025 , Edited by admin on Tue Apr 01 17:40:50 GMT 2025
PRIMARY
FDA UNII
E352DQR73S
Created by admin on Tue Apr 01 17:40:50 GMT 2025 , Edited by admin on Tue Apr 01 17:40:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID70163414
Created by admin on Tue Apr 01 17:40:50 GMT 2025 , Edited by admin on Tue Apr 01 17:40:50 GMT 2025
PRIMARY
NSC
680512
Created by admin on Tue Apr 01 17:40:50 GMT 2025 , Edited by admin on Tue Apr 01 17:40:50 GMT 2025
PRIMARY
PUBCHEM
73841
Created by admin on Tue Apr 01 17:40:50 GMT 2025 , Edited by admin on Tue Apr 01 17:40:50 GMT 2025
PRIMARY