1-octyl-3-methylimidazolium bromide

Catalog Number

ACM61545991-1

CAS

61545-99-1

Structure

IUPAC Name

1-methyl-3-octylimidazol-1-ium;bromide

Molecular Weight

275.23

Molecular Formula

C12H23N2Br

Canonical SMILES

CCCCCCCCN1C=C[N+](=C1)C.[Br-]

InChI

InChI=1S/C12H23N2.BrH/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

InChI Key

URVSXZLUUCVGQM-UHFFFAOYSA-M

Purity

≥98%

Chemical Formula

[OMIM] Br

Complexity

136

Covalently-Bonded Unit Count

2

Exact Mass

274.10446g/mol

Heavy Atom Count

15

MDL Number

MFCD10566918

Monoisotopic Mass

274.10446g/mol

• Catalog Number: ACM61545991-1
• CAS: 61545-99-1
• IUPAC Name: 1-methyl-3-octylimidazol-1-ium;bromide
• Molecular Weight: 275.23
• Molecular Formula: C12H23N2Br
• Canonical SMILES: CCCCCCCCN1C=C[N+](=C1)C.[Br-]
• InChI: InChI=1S/C12H23N2.BrH/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
• InChI Key: URVSXZLUUCVGQM-UHFFFAOYSA-M
• Purity: ≥98%
• Chemical Formula: [OMIM] Br
• Complexity: 136
• Covalently-Bonded Unit Count: 2
• Exact Mass: 274.10446g/mol
• Heavy Atom Count: 15
• MDL Number: MFCD10566918
• Monoisotopic Mass: 274.10446g/mol