N1,N6-di(prop-2-yn-1-yl)hexane-1,6-diaminium chloride | SBID = 2614 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2: 33.22
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 2.63
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: C12H22Cl2N2
M / g/mol: 265.22248
Complexity:
Number of Conformers:

Identifiers

  • Tags: guest
  • Name: N1,N6-di(prop-2-yn-1-yl)hexane-1,6-diaminium chloride
  • Preferred Abbreviation: N1,N6-di(prop-2-yn-1-yl)hexane-1,6-diaminium chloride
  • IUPAC Name:
  • CAS:
  • CID: -1161
  • InChiKey: NJEIACAKKBOTEU-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H20N2.2ClH/c1-3-9-13-11-7-5-6-8-12-14-10-4-2;;/h1-2,13-14H,5-12H2;2*1H
  • CanoSmiles: C#CC[NH2+]CCCCCC[NH2+]CC#C.[Cl-].[Cl-]
  • IsoSmiles: C#CC[NH2+]CCCCCC[NH2+]CC#C.[Cl-].[Cl-]