1H-​Imidazolium, 3-​butyl-​1-​methyl-​, bromide | SBID = 1874 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C8H15BrN2
M / g/mol: 219.1221
Complexity:
Number of Conformers:

Identifiers

  • Tags: salt, typical guest
  • Name: 1H-​Imidazolium, 3-​butyl-​1-​methyl-​, bromide
  • Preferred Abbreviation: [C4Mim]Br
  • IUPAC Name: 1H-​Imidazolium, 3-​butyl-​1-​methyl-​, bromide
  • CAS: 85100-77-2
  • CID: -787
  • InChiKey: KYCQOKLOSUBEJK-UHFFFAOYSA-M
  • InChi: InChI=1S/C8H15N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1
  • CanoSmiles: CCCC[N+]1=CN(C)C=C1.[Br-]
  • IsoSmiles: CCCC[N+]1=CN(C)C=C1.[Br-]