CAS 90390-01-5

Benzonitrile, 3-[(pentylamino)methyl]-

Description:

Benzonitrile, 3-[(pentylamino)methyl]- is an organic compound characterized by the presence of a benzonitrile moiety, which features a cyano group (-CN) attached to a benzene ring. The compound also contains a pentylamino group, indicating that a pentyl chain is linked to an amino group (-NH2) that is further connected to a methylene bridge (-CH2-) attached to the benzene ring. This structure imparts both hydrophobic and polar characteristics to the molecule, influencing its solubility and reactivity. Benzonitriles are generally known for their applications in organic synthesis and as intermediates in the production of pharmaceuticals and agrochemicals. The presence of the amino group suggests potential for hydrogen bonding, which can affect the compound's physical properties, such as boiling point and solubility in various solvents. Additionally, the compound may exhibit biological activity, making it of interest in medicinal chemistry. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₃H₁₈N₂

InChI: InChI=1S/C13H18N2/c1-2-3-4-8-15-11-13-7-5-6-12(9-13)10-14/h5-7,9,15H,2-4,8,11H2,1H3

InChI key: InChIKey=GQJSKTVYAFBAQS-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 3-((pentylamino)methyl)-
• Benzonitrile, 3-[(pentylamino)methyl]-
• Benzonitrile, 3-[(pentylamino)methyl]-
• 3-[(Pentylamino)methyl]benzonitrile