N-(2-bromobenzyl)-1-(2-bromophenyl)-N,N-dimethylmethanaminium | SBID = 2482 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.65
Charge: 1.0
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: C16H18Br2N+
M / g/mol: 384.12882
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N-(2-bromobenzyl)-1-(2-bromophenyl)-N,N-dimethylmethanaminium
  • Preferred Abbreviation: N-(2-bromobenzyl)-1-(2-bromophenyl)-N,N-dimethylmethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1074
  • InChiKey: KSCPXAIEIVZJAE-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H18Br2N/c1-19(2,11-13-7-3-5-9-15(13)17)12-14-8-4-6-10-16(14)18/h3-10H,11-12H2,1-2H3/q+1
  • CanoSmiles: Brc1ccccc1C[N+](Cc1ccccc1Br)(C)C
  • IsoSmiles: BrC1=C(C[N+](C)(C)CC2=CC=CC=C2Br)C=CC=C1