Cas no 78833-04-2 (2-Pyridineacetonitrile,a-(2-methylpropyl)-)

2-Pyridineacetonitrile,a-(2-methylpropyl)- structure
78833-04-2 structure
Product Name:2-Pyridineacetonitrile,a-(2-methylpropyl)-
CAS No:78833-04-2
MF:C11H14N2
MW:174.242262363434
CID:570798
PubChem ID:12923154
Update Time:2025-04-19

2-Pyridineacetonitrile,a-(2-methylpropyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridineacetonitrile,a-(2-methylpropyl)-
    • 4-methyl-2-pyridin-2-ylpentanenitrile
    • alpha-isobutylpyridine-2-acetonitrile
    • 278-990-0
    • 4-methyl-2-(2-pyridyl)pentanenitrile
    • 78833-04-2
    • starbld0031005
    • NS00060700
    • 4-METHYL-2-(PYRIDIN-2-YL)PENTANENITRILE
    • DTXSID001000069
    • SCHEMBL11226593
    • EINECS 278-990-0
    • Inchi: 1S/C11H14N2/c1-9(2)7-10(8-12)11-5-3-4-6-13-11/h3-6,9-10H,7H2,1-2H3
    • InChI Key: GPMCJRHRMGDKEE-UHFFFAOYSA-N
    • SMILES: N1C=CC=CC=1C(C#N)CC(C)C

Computed Properties

  • Exact Mass: 174.115698455g/mol
  • Monoisotopic Mass: 174.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 190
  • 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: 2.3
  • Topological Polar Surface Area: 36.7?2
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