1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide | SBID = 1552 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C14H26Br2N2
M / g/mol: 382.17764
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest, charged
  • Name: 1,1'-(1,4-phenylene)bis(N,N,N-trimethylmethanaminium) bromide
  • Preferred Abbreviation: (1,4-phenylene)bis(trimethylmethanaminium) bromide
  • IUPAC Name:
  • CAS:
  • CID: -610
  • InChiKey: TZMQYJOVAVSLEB-UHFFFAOYSA-L
  • InChi: InChI=1S/C14H26N2.2BrH/c1-15(2,3)11-13-7-9-14(10-8-13)12-16(4,5)6;;/h7-10H,11-12H2,1-6H3;2*1H/q+2;;/p-2
  • CanoSmiles: C[N+](Cc1ccc(cc1)C[N+](C)(C)C)(C)C.[Br-].[Br-]
  • IsoSmiles: C[N+](C)(C)CC1=CC=C(C[N+](C)(C)C)C=C1.[Br-].[Br-]