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Details

Stereochemistry ACHIRAL
Molecular Formula C20H39N2.Cl
Molecular Weight 342.99
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-HEXADECYL-3-METHYLIMIDAZOLIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCCCCN1C=C[N+](C)=C1

InChI

InChIKey=ZCPPLZJPPBIWRU-UHFFFAOYSA-M
InChI=1S/C20H39N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;/h18-20H,3-17H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H39N2
Molecular Weight 307.5371
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 Sat Dec 16 07:57:26 GMT 2023
Edited
by admin
on Sat Dec 16 07:57:26 GMT 2023
Record UNII
EQ4UWS7WUN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-HEXADECYL-3-METHYLIMIDAZOLIUM CHLORIDE
Systematic Name English
NSC-747260
Code English
3-Hexadecyl-1-methylimidazolium chloride
Systematic Name English
1-Cetyl-3-methylimidazolium chloride
Systematic Name English
1H-Imidazolium, 3-hexadecyl-1-methyl-, chloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
61546-01-8
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID8047923
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
PRIMARY
FDA UNII
EQ4UWS7WUN
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
PRIMARY
PUBCHEM
2734231
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
PRIMARY
NSC
747260
Created by admin on Sat Dec 16 07:57:26 GMT 2023 , Edited by admin on Sat Dec 16 07:57:26 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE