Cas no 114884-45-6 (4'-[(R)-2-Methylbutyl]biphenyl-4-carbonitrile)

4'-[(R)-2-Methylbutyl]biphenyl-4-carbonitrile structure
114884-45-6 structure
Product Name:4'-[(R)-2-Methylbutyl]biphenyl-4-carbonitrile
CAS No:114884-45-6
MF:C18H19N
MW:249.350164651871
CID:2449784
Update Time:2023-08-07

4'-[(R)-2-Methylbutyl]biphenyl-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4'-[(2R)-2-Methylbutyl]-[1,1'-biphenyl]-4-carbonitrile
    • 4'-[(R)-2-Methylbutyl]biphenyl-4-carbonitrile
    • (R)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-carbonitrile
    • Inchi: 1S/C18H19N/c1-3-14(2)12-15-4-8-17(9-5-15)18-10-6-16(13-19)7-11-18/h4-11,14H,3,12H2,1-2H3/t14-/m1/s1
    • InChI Key: DNJQGRFZQMOYGM-CQSZACIVSA-N
    • SMILES: N#CC1C=CC(=CC=1)C1C=CC(=CC=1)C[C@H](C)CC

Computed Properties

  • Exact Mass: 249.151749610 g/mol
  • Monoisotopic Mass: 249.151749610 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 297
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 249.3
  • XLogP3: 5.4
  • Topological Polar Surface Area: 23.8

Experimental Properties

  • Density: 1.02±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (3.7E-5 g/L) (25 oC),

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