N-methyl-1-phenylmethanaminium | SBID = 2653 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2: 16.61
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.52
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: C8H12N+
M / g/mol: 122.18758
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N-methyl-1-phenylmethanaminium
  • Preferred Abbreviation: N-methyl-1-phenylmethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1190
  • InChiKey: RIWRFSMVIUAEBX-UHFFFAOYSA-O
  • InChi: InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/p+1
  • CanoSmiles: C[NH2+]Cc1ccccc1
  • IsoSmiles: C[NH2+]CC1=CC=CC=C1