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1,3-dimethyl-1H-imidazol-3-ium | SBID = 2523 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 8.81
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 0.14
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: C5H9N2+
M / g/mol: 97.13836
Complexity:
Number of Conformers:

Identifiers

  • Tags: guest
  • Name: 1,3-dimethyl-1H-imidazol-3-ium
  • Preferred Abbreviation: 1,3-dimethyl-1H-imidazol-3-ium
  • IUPAC Name:
  • CAS:
  • CID: -1101
  • InChiKey: HVVRUQBMAZRKPJ-UHFFFAOYSA-N
  • InChi: InChI=1S/C5H9N2/c1-6-3-4-7(2)5-6/h3-5H,1-2H3/q+1
  • CanoSmiles: Cn1cc[n+](c1)C
  • IsoSmiles: CN1C=[N+](C)C=C1