1,1'-dimethyl-4,4'-bipyridinyl radical cation | SBID = 2627 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2: 7.12
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.86
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: C12H14N2+
M / g/mol: 186.25296
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 1,1'-dimethyl-4,4'-bipyridinyl radical cation
  • Preferred Abbreviation: MV.+
  • IUPAC Name:
  • CAS:
  • CID: -1172
  • InChiKey: BTSAKEQITKOCPZ-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+1
  • CanoSmiles: CN1C=C[C](C=C1)c1cc[n+](cc1)C
  • IsoSmiles: C[N+]1=CC=C([C](C=C2)C=CN2C)C=C1