1-methyl-3-octylimidazol-1-ium;bromide | SBID = 2161 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 8.8
Ertl TPSA/Å2: 8.81
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.47
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3:
Sum Formula: C12H23BrN2
M / g/mol: 275.23
Complexity: 136.0
Number of Conformers: 0.0

Identifiers

  • Tags:
  • Name: 1-methyl-3-octylimidazol-1-ium;bromide
  • Preferred Abbreviation: [C8mim]Br
  • IUPAC Name: 1-methyl-3-octylimidazol-1-ium;bromide
  • CAS: 61545-99-1
  • CID: 10849985
  • InChiKey: URVSXZLUUCVGQM-UHFFFAOYSA-M
  • 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
  • CanoSmiles: CCCCCCCCN1C=C[N+](=C1)C.[Br-]
  • IsoSmiles: CCCCCCCCN1C=C[N+](=C1)C.[Br-]