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Details

Stereochemistry ACHIRAL
Molecular Formula C10H19N2.Br
Molecular Weight 247.175
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=BGSUDDILQRFOKZ-UHFFFAOYSA-M
InChI=1S/C10H19N2.BrH/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

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H19N2
Molecular Weight 167.2713
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 08:00:02 GMT 2023
Edited
by admin
on Sat Dec 16 08:00:02 GMT 2023
Record UNII
49DC5Q958J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Hexyl-3-methylimidazolium bromide
Systematic Name English
1H-Imidazolium, 3-hexyl-1-methyl-, bromide (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
2734237
Created by admin on Sat Dec 16 08:00:02 GMT 2023 , Edited by admin on Sat Dec 16 08:00:02 GMT 2023
PRIMARY
FDA UNII
49DC5Q958J
Created by admin on Sat Dec 16 08:00:02 GMT 2023 , Edited by admin on Sat Dec 16 08:00:02 GMT 2023
PRIMARY
CAS
85100-78-3
Created by admin on Sat Dec 16 08:00:02 GMT 2023 , Edited by admin on Sat Dec 16 08:00:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID8047925
Created by admin on Sat Dec 16 08:00:02 GMT 2023 , Edited by admin on Sat Dec 16 08:00:02 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE