1-hexylpyridin-1-ium | SBID = 2522 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 3.88
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -2.65
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: C11H18N+
M / g/mol: 164.26732
Complexity:
Number of Conformers:

Identifiers

  • Tags: guest
  • Name: 1-hexylpyridin-1-ium
  • Preferred Abbreviation: 1-hexylpyridin-1-ium
  • IUPAC Name:
  • CAS:
  • CID: -1100
  • InChiKey: AMKUSFIBHAUBIJ-UHFFFAOYSA-N
  • InChi: InChI=1S/C11H18N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3/q+1
  • CanoSmiles: CCCCCC[n+]1ccccc1
  • IsoSmiles: CCCCCC[N+]1=CC=CC=C1