Cas no 67613-13-2 ([1,1'-Biphenyl]-4-carboxamide,4'-pentyl-)

[1,1'-Biphenyl]-4-carboxamide,4'-pentyl- structure
67613-13-2 structure
Product Name:[1,1'-Biphenyl]-4-carboxamide,4'-pentyl-
CAS No:67613-13-2
MF:C18H21NO
MW:267.365444898605
CID:525822
PubChem ID:105479
Update Time:2025-04-19

[1,1'-Biphenyl]-4-carboxamide,4'-pentyl- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-carboxamide,4'-pentyl-
    • p-Pentyl-p'-carboxamide
    • 4'-Pentylbiphenyl-4-carboxamide
    • 67613-13-2
    • [1,1'-Biphenyl]-4-carboxamide, 4'-pentyl-
    • (1,1'-Biphenyl)-4-carboxamide, 4'-pentyl-
    • 4'-Pentyl-biphenyl-4-carboxylic acid amide
    • SCHEMBL2241887
    • AKOS024344841
    • DTXSID0070528
    • p-Pentylbiphenyl-p'-carboxamide
    • 4'-n-pentyl-4-biphenylcarboxamide
    • 4'-PENTYL(1,1'-BIPHENYL)-4-CARBOXAMIDE
    • Inchi: 1S/C18H21NO/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H2,19,20)
    • InChI Key: QKZLRKYRAYGYOV-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)C1C=CC(=CC=1)CCCCC)N

Computed Properties

  • Exact Mass: 267.16243
  • Monoisotopic Mass: 267.162
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 286
  • 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: 4.8
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • Density: 1.045
  • Boiling Point: 433.5°C at 760 mmHg
  • Flash Point: 215.9°C
  • Refractive Index: 1.564
  • PSA: 43.09
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