Cas no 28118-33-4 (Propanedinitrile,2,2-diethyl-)

Propanedinitrile,2,2-diethyl- structure
Propanedinitrile,2,2-diethyl- structure
Product Name:Propanedinitrile,2,2-diethyl-
CAS No:28118-33-4
MF:C7H10N2
MW:122.167701244354
CID:291065
PubChem ID:2777231
Update Time:2025-04-19

Propanedinitrile,2,2-diethyl- Chemical and Physical Properties

Names and Identifiers

    • Propanedinitrile,2,2-diethyl-
    • 2,2-diethylpropanedinitrile
    • 2,2-diethylmalonitrile
    • 2,2-diethylmalononitrile
    • 2,2-diethyl-malononitrile
    • 2,2-diethyl-propanedinitrile
    • AC1MCRK3
    • AG-A-23977
    • CTK6C6940
    • Diaethyl-malononitril
    • diethyl-malononitrile
    • Diethylmalonsaeuredinitril
    • Diethylmalonsaeure-dinitril
    • diethylpropanedinitrile
    • OR24011
    • AIEHSKCCVPIDNR-UHFFFAOYSA-N
    • 28118-33-4
    • SCHEMBL1343125
    • Diaethylmalonitril
    • 2, 2-diethylpropanedinitrile
    • DTXSID50380425
    • Inchi: 1S/C7H10N2/c1-3-7(4-2,5-8)6-9/h3-4H2,1-2H3
    • InChI Key: AIEHSKCCVPIDNR-UHFFFAOYSA-N
    • SMILES: N#CC(C#N)(CC)CC

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: 154
  • 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: 1.5
  • Topological Polar Surface Area: 47.6?2

Experimental Properties

  • PSA: 47.58
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