CAS 90389-99-4

3-[[(1-Methylethyl)amino]methyl]benzonitrile

Description:

3-[[(1-Methylethyl)amino]methyl]benzonitrile, with the CAS number 90389-99-4, is an organic compound characterized by its structure, which includes a benzonitrile moiety substituted with an isopropylamino group. This compound typically exhibits properties common to aromatic nitriles, such as moderate polarity and the ability to participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. The presence of the isopropylamino group can influence its solubility, reactivity, and potential biological activity. Generally, compounds like this may be of interest in medicinal chemistry and drug development due to their potential pharmacological properties. Additionally, the compound's stability and reactivity can be affected by environmental factors such as pH and temperature. Safety data sheets should be consulted for handling and toxicity information, as nitriles can pose health risks if not managed properly. Overall, 3-[[(1-Methylethyl)amino]methyl]benzonitrile represents a class of compounds with diverse applications in chemical synthesis and research.

Formula: C₁₁H₁₄N₂

InChI: InChI=1/C11H14N2/c1-9(2)13-8-11-5-3-4-10(6-11)7-12/h3-6,9,13H,8H2,1-2H3

InChI key: InChIKey=CMQLCPBTRMQLEP-UHFFFAOYSA-N

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

Synonyms:

• 3-[(Isopropylamino)methyl]benzonitrile
• 3-[[(1-Methylethyl)amino]methyl]benzonitrile
• 3-[[(Propan-2-yl)amino]methyl]benzonitrile
• Benzonitrile, 3-(((1-methylethyl)amino)methyl)-
• 3-[(Propan-2-ylamino)methyl]benzonitrile