1-(3-aminopropyl)-4-4'-bipyridinium | SBID = 1237 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C13H17N3++
M / g/mol: 215.29418
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, typical guest, charged
  • Name: 1-(3-aminopropyl)-4-4'-bipyridinium
  • Preferred Abbreviation: 1-(3-aminopropyl)-4-4'-bipyridinium
  • IUPAC Name:
  • CAS:
  • CID: -409
  • InChiKey: YWVCJQJNYPBJLI-UHFFFAOYSA-O
  • InChi: InChI=1S/C13H16N3/c14-6-1-9-16-10-4-13(5-11-16)12-2-7-15-8-3-12/h2-5,7-8,10-11H,1,6,9,14H2/q+1/p+1
  • CanoSmiles: [NH3+]CCC[n+]1ccc(cc1)c1ccncc1
  • IsoSmiles: [NH3+]CCC[N+](C=C1)=CC=C1C2=CC=NC=C2