Benzyltrimethylammonium chloride | SBID = 1113 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
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: C10H16ClN
M / g/mol: 185.69374
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest, charged
  • Name: Benzyltrimethylammonium chloride
  • Preferred Abbreviation: Benzyltrimethylammonium chloride
  • IUPAC Name:
  • CAS:
  • CID: -355
  • InChiKey: KXHPPCXNWTUNSB-UHFFFAOYSA-M
  • InChi: InChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
  • CanoSmiles: C[N+](Cc1ccccc1)(C)C.[Cl-]
  • IsoSmiles: C[N+](C)(C)CC1=CC=CC=C1.[Cl-]