Cas no 51913-96-3 (8,8'-biquinoline)

8,8'-biquinoline structure
8,8'-biquinoline structure
Product Name:8,8'-biquinoline
CAS No:51913-96-3
MF:C18H12N2
MW:256.301283836365
CID:1574717
PubChem ID:40176
Update Time:2025-04-21

8,8'-biquinoline Chemical and Physical Properties

Names and Identifiers

    • 8,8'-biquinoline
    • DTXSID80199880
    • 8,8'-biquinolyl
    • SCHEMBL1282008
    • 60021-28-5
    • 51913-96-3
    • DB-100752
    • Inchi: 1S/C18H12N2/c1-5-13-7-3-11-19-17(13)15(9-1)16-10-2-6-14-8-4-12-20-18(14)16/h1-12H
    • InChI Key: NCGTXVHJMVAXBB-UHFFFAOYSA-N
    • SMILES: N1C=CC=C2C=CC=C(C=12)C1=CC=CC2=CC=CN=C12

Computed Properties

  • Exact Mass: 256.10016
  • Monoisotopic Mass: 256.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 297
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 25.8A^2
  • XLogP3: 4.1

Experimental Properties

  • Density: 1.223
  • Boiling Point: 423.6°Cat760mmHg
  • Flash Point: 423.6°Cat760mmHg
  • Refractive Index: 1.72
  • PSA: 25.78
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