CAS 1203797-61-8

4-(3-Azetidinylmethyl)benzonitrile

Description:

4-(3-Azetidinylmethyl)benzonitrile is a chemical compound characterized by its unique structure, which includes a benzonitrile moiety and an azetidine ring. The presence of the azetidine group suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to interact with biological targets. This compound typically exhibits properties such as moderate solubility in organic solvents and may have specific reactivity patterns due to the nitrile functional group, which can participate in nucleophilic addition reactions. The molecular structure may influence its pharmacokinetic properties, including absorption, distribution, metabolism, and excretion (ADME). Additionally, the compound's potential biological activity could be explored through various assays to assess its efficacy and safety in therapeutic contexts. As with many organic compounds, handling should be done with care, considering safety data and potential hazards associated with its use. Further studies would be necessary to fully elucidate its characteristics and applications in various fields, including medicinal chemistry and materials science.

Formula: C₁₁H₁₂N₂

InChI: InChI=1S/C11H12N2/c12-6-10-3-1-9(2-4-10)5-11-7-13-8-11/h1-4,11,13H,5,7-8H2

InChI key: InChIKey=HRMBQUSVWOEPJY-UHFFFAOYSA-N

SMILES: C(C1=CC=C(C#N)C=C1)C2CNC2

Synonyms:

• Benzonitrile, 4-(3-azetidinylmethyl)-
• 4-(3-Azetidinylmethyl)benzonitrile