N1,N6-dibenzylhexane-1,6-diaminium chloride | SBID = 2617 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 33.22
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 5.39
Charge: 0.0
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: C20H30Cl2N2
M / g/mol: 369.3716
Complexity:
Number of Conformers:

Identifiers

  • Tags: guest
  • Name: N1,N6-dibenzylhexane-1,6-diaminium chloride
  • Preferred Abbreviation: N1,N6-dibenzylhexane-1,6-diaminium chloride
  • IUPAC Name:
  • CAS:
  • CID: -1164
  • InChiKey: SPDNCGVVLVTVOV-UHFFFAOYSA-N
  • InChi: InChI=1S/C20H28N2.2ClH/c1(9-15-21-17-19-11-5-3-6-12-19)2-10-16-22-18-20-13-7-4-8-14-20;;/h3-8,11-14,21-22H,1-2,9-10,15-18H2;2*1H
  • CanoSmiles: C(CC[NH2+]Cc1ccccc1)CCC[NH2+]Cc1ccccc1.[Cl-].[Cl-]
  • IsoSmiles: C1(C[NH2+]CCCCCC[NH2+]CC2=CC=CC=C2)=CC=CC=C1.[Cl-].[Cl-]