CAS 87698-86-0

2-(4-Morpholinyl)benzeneacetonitrile

Description:

2-(4-Morpholinyl)benzeneacetonitrile, with the CAS number 87698-86-0, is an organic compound characterized by its structure, which includes a benzene ring substituted with a morpholine group and a nitrile functional group. This compound typically appears as a solid or liquid, depending on its specific formulation and purity. It is known for its potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to the presence of the morpholine moiety, which can enhance biological activity and solubility. The nitrile group contributes to its reactivity and can participate in various chemical reactions, making it a versatile intermediate in organic synthesis. Additionally, the compound may exhibit specific physical properties such as solubility in organic solvents and a distinct melting or boiling point, which are important for its handling and application in laboratory settings. Safety data should be consulted to understand its toxicity and handling precautions, as with any chemical substance.

Formula: C₁₂H₁₄N₂O

InChI: InChI=1S/C12H14N2O/c13-6-5-11-3-1-2-4-12(11)14-7-9-15-10-8-14/h1-4H,5,7-10H2

InChI key: InChIKey=RZBJTHWYBYLCNJ-UHFFFAOYSA-N

SMILES: C(C#N)C1=C(C=CC=C1)N2CCOCC2

Synonyms:

• 2-(4-Morpholinyl)benzeneacetonitrile
• Benzeneacetonitrile, 2-(4-morpholinyl)-
• 2-[2-(Morpholin-4-yl)phenyl]acetonitrile