cyclohexane-1,4-diaminium chloride | SBID = 1492 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 4.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C6H16Cl2N2
M / g/mol: 187.11064
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: cyclohexane-1,4-diaminium chloride
  • Preferred Abbreviation: cyclohexane-1,4-diaminium chloride
  • IUPAC Name:
  • CAS:
  • CID: -569
  • InChiKey: LSWJXVMHLYPGPM-UHFFFAOYSA-N
  • InChi: InChI=1S/C6H14N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h5-6H,1-4,7-8H2;2*1H
  • CanoSmiles: [NH3+][C@@H]1CC[C@H](CC1)[NH3+].[Cl-].[Cl-]
  • IsoSmiles: [NH3+][C@H]1CC[C@H]([NH3+])CC1.[Cl-].[Cl-]