1,1'-bis(3-aminopropyl)-4,4'-bipyridinium | SBID = 1236 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 59.8
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 0.4
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 222.3
Sum Formula: C16H24N4+2
M / g/mol: 272.39
Complexity: 217.0
Number of Conformers: 10.0

Identifiers

  • Tags: aromatic, cation, typical guest, charged
  • Name: 1,1'-bis(3-aminopropyl)-4,4'-bipyridinium
  • Preferred Abbreviation: 1,1'-bis(3-aminopropyl)-4,4'-bipyridinium
  • IUPAC Name: 3-[4-[1-(3-aminopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propan-1-amine
  • CAS: 110847-64-8
  • CID: 14731057
  • InChiKey: NDJXDRSTVNRJFS-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H24N4/c17-7-1-9-19-11-3-15(4-12-19)16-5-13-20(14-6-16)10-2-8-18/h3-6,11-14H,1-2,7-10,17-18H2/q+2
  • CanoSmiles: C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCCN)CCCN
  • IsoSmiles: C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCCN)CCCN