N,N,N-trimethylbenzenaminium | SBID = 2419 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -3.6
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: C9H14N+
M / g/mol: 136.21416
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N,N,N-trimethylbenzenaminium
  • Preferred Abbreviation: N,N,N-trimethylbenzenaminium
  • IUPAC Name:
  • CAS:
  • CID: -1020
  • InChiKey: ZNEOHLHCKGUAEB-UHFFFAOYSA-N
  • InChi: InChI=1S/C9H14N/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
  • CanoSmiles: C[N+](c1ccccc1)(C)C
  • IsoSmiles: C[N+](C)(C)C1=CC=CC=C1