N1,N6-dimethylhexane-1,6-diaminium chloride | SBID = 1548 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 6
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: C8H22Cl2N2
M / g/mol: 217.17968
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: N1,N6-dimethylhexane-1,6-diaminium chloride
  • Preferred Abbreviation: Dimethylhexane-1,6-diaminium chloride
  • IUPAC Name:
  • CAS:
  • CID: -606
  • InChiKey: CLFRJYFNXSYYIL-UHFFFAOYSA-N
  • InChi: InChI=1S/C8H20N2.2ClH/c1-9-7-5-3-4-6-8-10-2;;/h9-10H,3-8H2,1-2H3;2*1H
  • CanoSmiles: C[NH2+]CCCCCC[NH2+]C.[Cl-].[Cl-]
  • IsoSmiles: C[N+]([H])([H])CCCCCC[N+]([H])([H])C.[Cl-].[Cl-]