Cas no 67599-21-7 (p-Heptylbiphenyl-p'-carboxamide)

p-Heptylbiphenyl-p'-carboxamide structure
67599-21-7 structure
Product Name:p-Heptylbiphenyl-p'-carboxamide
CAS No:67599-21-7
MF:C20H25NO
MW:295.418605566025
CID:966373
PubChem ID:105478
Update Time:2025-04-19

p-Heptylbiphenyl-p'-carboxamide Chemical and Physical Properties

Names and Identifiers

    • p-Heptylbiphenyl-p'-carboxamide
    • [1,1'-biphenyl]-4-carboxamide, 4'-heptyl-
    • 4'-Heptylbiphenyl-4-carboxamide
    • DTXSID0070526
    • 4'-Heptyl-biphenyl-4-carboxylic acid amide
    • 67599-21-7
    • SCHEMBL4929717
    • AKOS024344842
    • 4'-HEPTYL(1,1'-BIPHENYL)-4-CARBOXAMIDE
    • (1,1'-Biphenyl)-4-carboxamide, 4'-heptyl-
    • OTQJIVXAIVXUBV-UHFFFAOYSA-N
    • Inchi: 1S/C20H25NO/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H2,21,22)
    • InChI Key: OTQJIVXAIVXUBV-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)C1C=CC(=CC=1)CCCCCCC)N

Computed Properties

  • Exact Mass: 295.19375
  • Monoisotopic Mass: 295.193614421g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 8
  • Complexity: 312
  • 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
  • XLogP3: 5.9
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • PSA: 43.09
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