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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H11N2O.C2N3
Molecular Weight 193.2058
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-Hydroxyethyl)-3-methylimidazolium dicyanamide

SMILES

N#C[N-]C#N.CN1C=C[N+](CCO)=C1

InChI

InChIKey=UBQLCZUQCFNAGM-UHFFFAOYSA-N
InChI=1S/C6H11N2O.C2N3/c1-7-2-3-8(6-7)4-5-9;3-1-5-2-4/h2-3,6,9H,4-5H2,1H3;/q+1;-1

HIDE SMILES / InChI

Molecular Formula C2N3
Molecular Weight 66.0415
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H11N2O
Molecular Weight 127.1643
Charge 1
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 16:57:51 GMT 2025
Edited
by admin
on Wed Apr 02 16:57:51 GMT 2025
Record UNII
82Y7CXT5M8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Imidazolium, 3-(2-hydroxyethyl)-1-methyl-, salt with N-cyanocyanamide (1:1)
Preferred Name English
1-(2-Hydroxyethyl)-3-methylimidazolium dicyanamide
Systematic Name English
Code System Code Type Description
CAS
1186103-47-8
Created by admin on Wed Apr 02 16:57:51 GMT 2025 , Edited by admin on Wed Apr 02 16:57:51 GMT 2025
PRIMARY
PUBCHEM
71310541
Created by admin on Wed Apr 02 16:57:51 GMT 2025 , Edited by admin on Wed Apr 02 16:57:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID30746222
Created by admin on Wed Apr 02 16:57:51 GMT 2025 , Edited by admin on Wed Apr 02 16:57:51 GMT 2025
PRIMARY
FDA UNII
82Y7CXT5M8
Created by admin on Wed Apr 02 16:57:51 GMT 2025 , Edited by admin on Wed Apr 02 16:57:51 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE