N,N,N-trimethylhexan-1-aminium bromide | SBID = 1494 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 8
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: C9H22BrN
M / g/mol: 224.18168
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: N,N,N-trimethylhexan-1-aminium bromide
  • Preferred Abbreviation: Trimethylhexan-1-aminium bromide
  • IUPAC Name:
  • CAS:
  • CID: -571
  • InChiKey: JYVPKRHOTGQJSE-UHFFFAOYSA-M
  • InChi: InChI=1S/C9H22N.BrH/c1-5-6-7-8-9-10(2,3)4;/h5-9H2,1-4H3;1H/q+1;/p-1
  • CanoSmiles: CCCCCC[N+](C)(C)C.[Br-]
  • IsoSmiles: CCCCCC[N+](C)(C)C.[Br-]