Cas no 54697-86-8 (Pyridine, 4,4'-(1,3-butadiene-1,4-diyl)bis-)

Pyridine, 4,4'-(1,3-butadiene-1,4-diyl)bis- structure
54697-86-8 structure
Product Name:Pyridine, 4,4'-(1,3-butadiene-1,4-diyl)bis-
CAS No:54697-86-8
MF:C14H12N2
MW:208.258482933044
MDL:MFCD00961639
CID:353907
PubChem ID:5935078
Update Time:2025-04-19

Pyridine, 4,4'-(1,3-butadiene-1,4-diyl)bis- Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 4,4'-(1,3-butadiene-1,4-diyl)bis-
    • 4-(4-pyridin-4-ylbuta-1,3-dienyl)pyridine
    • 1,4-Di(pyridin-4-yl)buta-1,3-diene
    • (e,e)-1,4-di(4-pyridyl)buta-1,3-diene
    • SCHEMBL4004416
    • 54697-86-8
    • MDL: MFCD00961639
    • Inchi: 1S/C14H12N2/c1(3-13-5-9-15-10-6-13)2-4-14-7-11-16-12-8-14/h1-12H/b3-1+,4-2+
    • InChI Key: JWHUNJBKTXKJEQ-ZPUQHVIOSA-N
    • SMILES: N1C=CC(=CC=1)/C=C/C=C/C1C=CN=CC=1

Computed Properties

  • Exact Mass: 208.10016
  • Monoisotopic Mass: 208.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 207
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • PSA: 25.78

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