N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride | SBID = 1550 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 7
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C12H30Cl2N2
M / g/mol: 273.286
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: N1,N1,N1,N6,N6,N6-hexamethylhexane-1,6-diaminium chloride
  • Preferred Abbreviation: Hexamethylhexane-1,6-diaminium chloride
  • IUPAC Name:
  • CAS:
  • CID: -608
  • InChiKey: PYIHTIJNCRKDBV-UHFFFAOYSA-L
  • InChi: InChI=1S/C12H30N2.2ClH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
  • CanoSmiles: C[N+](CCCCCC[N+](C)(C)C)(C)C.[Cl-].[Cl-]
  • IsoSmiles: C[N+](C)(C)CCCCCC[N+](C)(C)C.[Cl-].[Cl-]