1,1'-(1,4-phenylene)bis(N-benzylmethanaminium) chloride | SBID = 2618 | 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): 5.13
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: C22H26Cl2N2
M / g/mol: 389.36124
Complexity:
Number of Conformers:

Identifiers

  • Tags: guest
  • Name: 1,1'-(1,4-phenylene)bis(N-benzylmethanaminium) chloride
  • Preferred Abbreviation: 1,1'-(1,4-phenylene)bis(N-benzylmethanaminium) chloride
  • IUPAC Name:
  • CAS:
  • CID: -1165
  • InChiKey: ZSTKQVUYUFADTO-UHFFFAOYSA-N
  • InChi: InChI=1S/C22H24N2.2ClH/c1-3-7-19(8-4-1)15-23-17-21-11-13-22(14-12-21)18-24-16-20-9-5-2-6-10-20;;/h1-14,23-24H,15-18H2;2*1H
  • CanoSmiles: [NH2+](Cc1ccccc1)Cc1ccc(cc1)C[NH2+]Cc1ccccc1.[Cl-].[Cl-]
  • IsoSmiles: C1(C[NH2+]CC2=CC=CC=C2)=CC=C(C[NH2+]CC3=CC=CC=C3)C=C1.[Cl-].[Cl-]