CAS 1019595-80-2

4-[[(1,1-Dimethylpropyl)amino]methyl]benzonitrile

Description:

4-[[(1,1-Dimethylpropyl)amino]methyl]benzonitrile, identified by its CAS number 1019595-80-2, is a chemical compound that features a benzonitrile core substituted with an amino group and a branched alkyl chain. This compound typically exhibits characteristics common to aromatic amines, including potential solubility in organic solvents and moderate polarity due to the presence of both the nitrile and amino functional groups. The branched alkyl chain, specifically the 1,1-dimethylpropyl group, contributes to its steric bulk, which can influence its reactivity and interaction with biological systems. The nitrile group may impart certain electronic properties, making the compound of interest in various chemical applications, including pharmaceuticals and agrochemicals. Additionally, the presence of the amino group suggests potential for hydrogen bonding, which can affect its solubility and interaction with other molecules. Overall, this compound's unique structure may lead to specific biological activities or chemical reactivity, warranting further investigation in relevant fields.

Formula: C₁₃H₁₈N₂

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

InChI key: InChIKey=NAQWTQOVEZTTST-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 4-[[(1,1-dimethylpropyl)amino]methyl]-
• 4-[[(1,1-Dimethylpropyl)amino]methyl]benzonitrile