N,N-dimethyl-1-phenylmethanaminium | SBID = 2655 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2: 4.44
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.98
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:
  • Name: N,N-dimethyl-1-phenylmethanaminium
  • Preferred Abbreviation: N,N-dimethyl-1-phenylmethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1192
  • InChiKey: XXBDWLFCJWSEKW-UHFFFAOYSA-O
  • InChi: InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/p+1
  • CanoSmiles: C[NH+](Cc1ccccc1)C
  • IsoSmiles: C[NH+](C)CC1=CC=CC=C1