CAS 89013-03-6

4-(2-Bicyclo[2.2.2]oct-1-ylethyl)benzonitrile

Description:

4-(2-Bicyclo[2.2.2]oct-1-ylethyl)benzonitrile, with the CAS number 89013-03-6, is an organic compound characterized by its bicyclic structure and a benzonitrile moiety. The bicyclo[2.2.2]octane framework contributes to its unique three-dimensional shape, which can influence its physical and chemical properties, such as solubility and reactivity. The presence of the benzonitrile group indicates that the compound contains a cyano functional group (-C≡N) attached to a phenyl ring, which can enhance its polarity and potential for hydrogen bonding. This compound may exhibit interesting biological activities due to its structural features, making it a candidate for research in medicinal chemistry. Additionally, its synthesis and characterization would typically involve standard organic reactions, and its stability can be influenced by the steric and electronic effects of the bicyclic system. Overall, 4-(2-Bicyclo[2.2.2]oct-1-ylethyl)benzonitrile represents a complex organic molecule with potential applications in various fields, including pharmaceuticals and materials science.

Formula: C₁₇H₂₁N

InChI: InChI=1S/C17H21N/c18-13-16-3-1-14(2-4-16)5-9-17-10-6-15(7-11-17)8-12-17/h1-4,15H,5-12H2

InChI key: InChIKey=MZWCUEOLGCNVBG-UHFFFAOYSA-N

SMILES: C(CC1=CC=C(C#N)C=C1)C23CCC(CC2)CC3

Synonyms:

• Benzonitrile, 4-(2-bicyclo[2.2.2]oct-1-ylethyl)-
• 4-(2-Bicyclo[2.2.2]oct-1-ylethyl)benzonitrile

Benzonitrile, 4-(2-bicyclo[2.2.2]oct-1-ylethyl)-

CAS: 89013-03-6

Formula: C₁₇H₂₁N

Molecular weight: 239.3553

Ref: IN-DA0044E0