Cas no 53394-56-2 (Pyridinium, 1,1'-(1,4-butanediyl)bis-, diiodide)

Pyridinium, 1,1'-(1,4-butanediyl)bis-, diiodide structure
53394-56-2 structure
Product Name:Pyridinium, 1,1'-(1,4-butanediyl)bis-, diiodide
CAS No:53394-56-2
MF:C14H18I2N2
MW:468.115067958832
CID:357391
PubChem ID:13422434
Update Time:2025-04-19

Pyridinium, 1,1'-(1,4-butanediyl)bis-, diiodide Chemical and Physical Properties

Names and Identifiers

    • Pyridinium, 1,1'-(1,4-butanediyl)bis-, diiodide
    • 1-(4-pyridin-1-ium-1-ylbutyl)pyridin-1-ium,diiodide
    • 1-(4-pyridin-1-ium-1-ylbutyl)pyridin-1-ium;diiodide
    • 53394-56-2
    • DTXSID10540341
    • Z5548076991
    • 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium) diiodide
    • Inchi: 1S/C14H18N2.2HI/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;;/h1-6,9-12H,7-8,13-14H2;2*1H/q+2;;/p-2
    • InChI Key: AFXQXNNHFXUTLV-UHFFFAOYSA-L
    • SMILES: [I-].[I-].[N+]1(C=CC=CC=1)CCCC[N+]1C=CC=CC=1

Computed Properties

  • Exact Mass: 449.8142
  • Monoisotopic Mass: 467.95594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 150
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 7.8?2

Experimental Properties

  • PSA: 7.76
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