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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H19N2.Cl
Molecular Weight 202.724
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Hexyl-3-methylimidazolium chloride

SMILES

[Cl-].CCCCCCN1C=C[N+](C)=C1

InChI

InChIKey=NKRASMXHSQKLHA-UHFFFAOYSA-M
InChI=1S/C10H19N2.ClH/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-Hexyl-3-methylimidazolium chloride
Systematic Name English
1H-Imidazolium, 3-hexyl-1-methyl-, chloride (1:1)
Preferred Name English
Code System Code Type Description
CAS
171058-17-6
Created by admin on Mon Mar 31 23:05:11 GMT 2025 , Edited by admin on Mon Mar 31 23:05:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID1047948
Created by admin on Mon Mar 31 23:05:11 GMT 2025 , Edited by admin on Mon Mar 31 23:05:11 GMT 2025
PRIMARY
FDA UNII
NAF7CPJ8BM
Created by admin on Mon Mar 31 23:05:11 GMT 2025 , Edited by admin on Mon Mar 31 23:05:11 GMT 2025
PRIMARY
PUBCHEM
2734163
Created by admin on Mon Mar 31 23:05:11 GMT 2025 , Edited by admin on Mon Mar 31 23:05:11 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966