Cas no 7391-58-4 (2-butylpropanedinitrile)

2-butylpropanedinitrile structure
2-butylpropanedinitrile structure
Product Name:2-butylpropanedinitrile
CAS No:7391-58-4
MF:C7H10N2
MW:122.167701244354
MDL:MFCD06215024
CID:85908
PubChem ID:12751987
Update Time:2025-04-18

2-butylpropanedinitrile Chemical and Physical Properties

Names and Identifiers

    • Butylmalononitrile
    • 2-butylpropanedinitrile
    • 2-butylmalononitrile
    • 2-n-Butylmalononitrile
    • butyl propanedinitrile
    • Butyl-malononitril
    • Propanedinitrile,butyl
    • Butylpropanedinitrile
    • IHHJYYHYSAGXEE-UHFFFAOYSA-N
    • Propanedinitrile, butyl-
    • AMY37121
    • dicyanopentane
    • DTXSID20508917
    • FT-0764436
    • SCHEMBL325130
    • 7391-58-4
    • EN300-19937
    • MDL: MFCD06215024
    • Inchi: 1S/C7H10N2/c1-2-3-4-7(5-8)6-9/h7H,2-4H2,1H3
    • InChI Key: IHHJYYHYSAGXEE-UHFFFAOYSA-N
    • SMILES: N#CC(C#N)CCCC

Computed Properties

  • Exact Mass: 122.08400
  • 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: 3
  • Complexity: 138
  • 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: 1.9
  • Topological Polar Surface Area: 47.6?2

Experimental Properties

  • Density: 0.930±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 199-200 oC (20 Torr)
  • Flash Point: 99.4±13.7 oC,
  • Refractive Index: 1.4292 (589.3 nm 20 oC)
  • Solubility: Slightly soluble (3.1 g/l) (25 o C),
  • PSA: 47.58000
  • LogP: 1.83996

2-butylpropanedinitrile Pricemore >>

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