N1,N1'-(1,4-phenylenebis(methylene))bis(propane-1,3-diaminium) chloride | SBID = 1885 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 8.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C14H30Cl4N4
M / g/mol: 396.2268
Complexity:
Number of Conformers:

Identifiers

  • Tags: uncharged, aromatic
  • Name: N1,N1'-(1,4-phenylenebis(methylene))bis(propane-1,3-diaminium) chloride
  • Preferred Abbreviation: N1,N1'-(1,4-phenylenebis(methylene))bis(propane-1,3-diaminium) chloride
  • IUPAC Name:
  • CAS: 1061600-89-2
  • CID: -797
  • InChiKey: ZEPPFUDKNBQKEF-UHFFFAOYSA-N
  • InChi: InChI=1S/C14H26N4.4ClH/c15-7-1-9-17-11-13-3-5-14(6-4-13)12-18-10-2-8-16;;;;/h3-6,17-18H,1-2,7-12,15-16H2;4*1H
  • CanoSmiles: [NH3+]CCC[NH2+]Cc1ccc(cc1)C[NH2+]CCC[NH3+].[Cl-].[Cl-].[Cl-].[Cl-]
  • IsoSmiles: [NH3+]CCC[NH2+]CC1=CC=C(C[NH2+]CCC[NH3+])C=C1.[Cl-].[Cl-].[Cl-].[Cl-]