Methyltrioctylammonium chloride | SBID = 1613 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 0.0
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): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3:
Sum Formula: C25H54ClN
M / g/mol: 404.2
Complexity: 220.0
Number of Conformers: 0.0

Identifiers

  • Tags: typical guest, charged
  • Name: Methyltrioctylammonium chloride
  • Preferred Abbreviation: Methyltrioctylammonium chloride
  • IUPAC Name: methyl(trioctyl)azanium;chloride
  • CAS: 5137-55-3
  • CID: 21218
  • InChiKey: XKBGEWXEAPTVCK-UHFFFAOYSA-M
  • InChi: InChI=1S/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1
  • CanoSmiles: CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-]
  • IsoSmiles: CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-]