Cas no 1862905-47-2 (1-Butyl-3-methyl-1H-pyrazole-4-carbonitrile)

1-Butyl-3-methyl-1H-pyrazole-4-carbonitrile structure
1862905-47-2 structure
Product Name:1-Butyl-3-methyl-1H-pyrazole-4-carbonitrile
CAS No:1862905-47-2
MF:C9H13N3
MW:163.219621419907
CID:5696147
PubChem ID:130677315
Update Time:2023-10-14

1-Butyl-3-methyl-1H-pyrazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1862905-47-2
    • EN300-1460970
    • 1-Butyl-3-methyl-1H-pyrazole-4-carbonitrile
    • 1H-Pyrazole-4-carbonitrile, 1-butyl-3-methyl-
    • Inchi: 1S/C9H13N3/c1-3-4-5-12-7-9(6-10)8(2)11-12/h7H,3-5H2,1-2H3
    • InChI Key: MGYTYEWJLRMROZ-UHFFFAOYSA-N
    • SMILES: N1(C=C(C#N)C(C)=N1)CCCC

Computed Properties

  • Exact Mass: 163.110947427g/mol
  • Monoisotopic Mass: 163.110947427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 182
  • 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: 41.6?2

Experimental Properties

  • Density: 1.02±0.1 g/cm3(Predicted)
  • Boiling Point: 282.5±20.0 °C(Predicted)
  • pka: -0.92±0.10(Predicted)

1-Butyl-3-methyl-1H-pyrazole-4-carbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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