Cas no 15074-49-4 (Pentanedinitrile, 2,4-dimethyl-)

Pentanedinitrile, 2,4-dimethyl- structure
15074-49-4 structure
Product Name:Pentanedinitrile, 2,4-dimethyl-
CAS No:15074-49-4
MF:C7H10N2
MW:122.167701244354
CID:96514
PubChem ID:22672990
Update Time:2025-04-19

Pentanedinitrile, 2,4-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Pentanedinitrile, 2,4-dimethyl-
    • 2,4-Dimethylpentanedinitrile
    • (+-)-2.4-Dicyan-pentan
    • 2,4-Dicyan-pentan
    • 2,4-Dimethylglutaronitril
    • CTK0E8474
    • meso-2,4-Dicyano-pentan
    • meso-2.4-Dicyan-pentan
    • racem-2,4-Dicyano-pentan
    • SCHEMBL305565
    • 2,4- dimethylglutaronitrile
    • RISJWFYSMKOETR-UHFFFAOYSA-N
    • 2,4-dimethylglutaronitrile
    • 15074-49-4
    • DTXSID80627491
    • 2.4-Dicyanopentan
    • DTXCID50578244
    • Inchi: 1S/C7H10N2/c1-6(4-8)3-7(2)5-9/h6-7H,3H2,1-2H3
    • InChI Key: RISJWFYSMKOETR-UHFFFAOYSA-N
    • SMILES: N#CC(C)CC(C#N)C

Computed Properties

  • Exact Mass: 122.0845
  • Monoisotopic Mass: 122.084398327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 146
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 47.6?2

Experimental Properties

  • Density: 0.928
  • Boiling Point: 280.17°C at 760 mmHg
  • Flash Point: 132.649°C
  • Refractive Index: 1.433
  • PSA: 47.58

Pentanedinitrile, 2,4-dimethyl- Related Literature

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