1,4-phenylenedimethanaminium chloride | SBID = 1551 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 8
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: C8H14Cl2N2
M / g/mol: 209.11616
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest
  • Name: 1,4-phenylenedimethanaminium chloride
  • Preferred Abbreviation: 1,4-phenylenedimethanaminium chloride
  • IUPAC Name:
  • CAS:
  • CID: -609
  • InChiKey: MMRSJZODOAQOTM-UHFFFAOYSA-N
  • InChi: InChI=1S/C8H12N2.2ClH/c9-5-7-1-2-8(6-10)4-3-7;;/h1-4H,5-6,9-10H2;2*1H
  • CanoSmiles: [NH3+]Cc1ccc(cc1)C[NH3+].[Cl-].[Cl-]
  • IsoSmiles: [NH3+]CC1=CC=C(C[NH3+])C=C1.[Cl-].[Cl-]