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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H8N4
Molecular Weight 112.1331
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CYANO-1,3-DIMETHYLGUANIDINE

SMILES

CNC(NC)=NC#N

InChI

InChIKey=KPUBXONXNWPZIN-UHFFFAOYSA-N
InChI=1S/C4H8N4/c1-6-4(7-2)8-3-5/h1-2H3,(H2,6,7,8)

HIDE SMILES / InChI

Molecular Formula C4H8N4
Molecular Weight 112.1331
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 Wed Apr 02 17:52:23 GMT 2025
Edited
by admin
on Wed Apr 02 17:52:23 GMT 2025
Record UNII
6DB4UQ9U7S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Guanidine, N-cyano-N?,N??-dimethyl-
Preferred Name English
2-CYANO-1,3-DIMETHYLGUANIDINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60878747
Created by admin on Wed Apr 02 17:52:23 GMT 2025 , Edited by admin on Wed Apr 02 17:52:23 GMT 2025
PRIMARY
FDA UNII
6DB4UQ9U7S
Created by admin on Wed Apr 02 17:52:23 GMT 2025 , Edited by admin on Wed Apr 02 17:52:23 GMT 2025
PRIMARY
CAS
31857-31-5
Created by admin on Wed Apr 02 17:52:23 GMT 2025 , Edited by admin on Wed Apr 02 17:52:23 GMT 2025
PRIMARY
PUBCHEM
94424
Created by admin on Wed Apr 02 17:52:23 GMT 2025 , Edited by admin on Wed Apr 02 17:52:23 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY