Cas no 64240-67-1 ([1,1'-Biphenyl]-4-carbonitrile,4'-(2-methylbutyl)-)

[1,1'-Biphenyl]-4-carbonitrile,4'-(2-methylbutyl)- structure
64240-67-1 structure
Product Name:[1,1'-Biphenyl]-4-carbonitrile,4'-(2-methylbutyl)-
CAS No:64240-67-1
MF:C18H19N
MW:249.350164651871
CID:499992
PubChem ID:3941842
Update Time:2025-04-19

[1,1'-Biphenyl]-4-carbonitrile,4'-(2-methylbutyl)- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-carbonitrile,4'-(2-methylbutyl)-
    • 4-Iso-Pentyl-Biphenylcarbonitrile
    • 5-(3-methylbutyl)-2-phenylbenzonitrile
    • 4-Cyano-4'-(2-methylbutyl)biphenyl
    • 4-Isopentyl-4'-cyanobiphenyl
    • 4-(2-methylbutyl)-4'-cyanobiphenyl
    • starbld0019058
    • 59137-36-9
    • 64240-67-1
    • LS-14641
    • 4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-carbonitrile
    • (S)-4-(2-Methylbutyl)biphenyl-4'-carbonitrile
    • 4'-[(S)-2-Methylbutyl]biphenyl-4-carbonitrile
    • SCHEMBL91895
    • 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
    • InChI Key: DNJQGRFZQMOYGM-UHFFFAOYSA-N
    • SMILES: N#CC1C=CC(=CC=1)C1C=CC(=CC=1)CC(C)CC

Computed Properties

  • Exact Mass: 249.151749610g/mol
  • Monoisotopic Mass: 249.151749610g/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: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.4
  • Topological Polar Surface Area: 23.8?2
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