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CAS 59443-94-6

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4-Amino-β-oxobenzenepropanenitrile

Description:
4-Amino-β-oxobenzenepropanenitrile, also known by its CAS number 59443-94-6, is an organic compound characterized by the presence of an amino group, a nitrile group, and a ketone functional group within its structure. This compound typically exhibits a solid state at room temperature and is soluble in polar solvents due to the presence of the amino and nitrile groups, which can engage in hydrogen bonding. The compound's structure suggests potential reactivity, particularly in nucleophilic substitution and condensation reactions, making it of interest in synthetic organic chemistry. Additionally, the presence of the aromatic ring contributes to its stability and may influence its electronic properties. 4-Amino-β-oxobenzenepropanenitrile may have applications in pharmaceuticals or agrochemicals, although specific uses would depend on further research into its biological activity and reactivity. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks if ingested or inhaled.
Formula:C9H8N2O
InChI:InChI=1S/C9H8N2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5,11H2
InChI key:InChIKey=BEWGVKVWWKCFHO-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C1=CC=C(N)C=C1
Synonyms:
  • Acetonitrile, (p-aminobenzoyl)-
  • Benzenepropanenitrile, 4-amino-β-oxo-
  • (p-Aminobenzoyl)acetonitrile
  • NSC 93771
  • 4-Amino-β-oxobenzenepropanenitrile
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