Cas no 887407-82-1 (2-methyl-3-(4-methyl-1H-pyrazol-1-yl)propanenitrile)

2-methyl-3-(4-methyl-1H-pyrazol-1-yl)propanenitrile structure
887407-82-1 structure
Product Name:2-methyl-3-(4-methyl-1H-pyrazol-1-yl)propanenitrile
CAS No:887407-82-1
MF:C8H11N3
MW:149.193041086197
MDL:MFCD06662323
CID:3060196
PubChem ID:19616592
Update Time:2025-04-21

2-methyl-3-(4-methyl-1H-pyrazol-1-yl)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-3-(4-methyl-1H-pyrazol-1-yl)propanenitrile
    • 887407-82-1
    • SCHEMBL14964502
    • STK350874
    • EN300-230760
    • 2-methyl-3-(4-methylpyrazol-1-yl)propanenitrile
    • AKOS000313346
    • CS-0272231
    • BBL040694
    • MDL: MFCD06662323
    • Inchi: 1S/C8H11N3/c1-7(3-9)5-11-6-8(2)4-10-11/h4,6-7H,5H2,1-2H3
    • InChI Key: UNAGNNHUDKZLIR-UHFFFAOYSA-N
    • SMILES: N1(C=C(C)C=N1)CC(C#N)C

Computed Properties

  • Exact Mass: 149.095297364Da
  • Monoisotopic Mass: 149.095297364Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 169
  • 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: 0.8
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 289.2±23.0 °C at 760 mmHg

2-methyl-3-(4-methyl-1H-pyrazol-1-yl)propanenitrile Security Information

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