o-tolylmethanaminium | SBID = 2520 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 35.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.33
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: o-tolylmethanaminium
  • Preferred Abbreviation: o-tolylmethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1098
  • InChiKey: CJAAPVQEZPAQNI-UHFFFAOYSA-O
  • InChi: InChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3/p+1
  • CanoSmiles: [NH3+]Cc1ccccc1C
  • IsoSmiles: [H][N+]([H])([H])CC1=C(C)C=CC=C1