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Details

Stereochemistry ACHIRAL
Molecular Formula C12H23N2.Cl
Molecular Weight 230.777
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methyl-3-octylimidazolium chloride

SMILES

[Cl-].CCCCCCCC[N+]1=CN(C)C=C1

InChI

InChIKey=OXFBEEDAZHXDHB-UHFFFAOYSA-M
InChI=1S/C12H23N2.ClH/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI
Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C12H23N2
Molecular Weight 195.3244
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:59:57 GMT 2025
Edited
by admin
on Mon Mar 31 22:59:57 GMT 2025
Record UNII
7R6C755MN6
Record Status Validated (UNII)
Record Version
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Name Type Language
1-Methyl-3-n-octylimidazolium chloride
Preferred Name English
1-Methyl-3-octylimidazolium chloride
Systematic Name English
1H-Imidazolium, 1-methyl-3-octyl-, chloride
Systematic Name English
1H-Imidazolium, 1-methyl-3-octyl-, chloride (1:1)
Systematic Name English
1-Methyl-3-octyl-1H-imidazolium chloride
Systematic Name English
3-Methyl-1-octylimidazolium chloride
Common Name English
1-Octyl-3-methylimidazolium chloride
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID5047873
Created by admin on Mon Mar 31 22:59:57 GMT 2025 , Edited by admin on Mon Mar 31 22:59:57 GMT 2025
PRIMARY
PUBCHEM
2734223
Created by admin on Mon Mar 31 22:59:57 GMT 2025 , Edited by admin on Mon Mar 31 22:59:57 GMT 2025
PRIMARY
CAS
64697-40-1
Created by admin on Mon Mar 31 22:59:57 GMT 2025 , Edited by admin on Mon Mar 31 22:59:57 GMT 2025
PRIMARY
FDA UNII
7R6C755MN6
Created by admin on Mon Mar 31 22:59:57 GMT 2025 , Edited by admin on Mon Mar 31 22:59:57 GMT 2025
PRIMARY
CHEBI
61342
Created by admin on Mon Mar 31 22:59:57 GMT 2025 , Edited by admin on Mon Mar 31 22:59:57 GMT 2025
PRIMARY
Related Record Type Details
Structure of 1-Methyl-3-octylimidazolium
IONIC MOIETY
Structure of 1-Methyl-3-octylimidazolium
PARENT -> SALT/SOLVATE
NIH
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