1-Pentyl-3-methylmidazolium | SBID = 2116 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 8.81
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.87
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C9H17N2+
M / g/mol: 153.24468
Complexity:
Number of Conformers:

Identifiers

  • Tags: imidazolium
  • Name: 1-Pentyl-3-methylmidazolium
  • Preferred Abbreviation: 1-Pentyl-3-methylmidazolium
  • IUPAC Name:
  • CAS:
  • CID: -929
  • InChiKey: LSFWFJFDPRFPBK-UHFFFAOYSA-N
  • InChi: InChI=1S/C9H17N2/c1-3-4-5-6-11-8-7-10(2)9-11/h7-9H,3-6H2,1-2H3/q+1
  • CanoSmiles: CCCCCn1cc[n+](c1)C
  • IsoSmiles: C[N+]1=CN(CCCCC)C=C1