CAS 96084-41-2

3-(Aminomethyl)-2-methylbenzoic acid

Description:

3-(Aminomethyl)-2-methylbenzoic acid, also known by its CAS number 96084-41-2, is an organic compound characterized by the presence of both an amino group and a carboxylic acid functional group attached to a methyl-substituted benzene ring. This compound typically appears as a white to off-white solid and is soluble in polar solvents due to its ability to form hydrogen bonds. The amino group contributes to its basicity, while the carboxylic acid group imparts acidic properties, allowing it to participate in various chemical reactions, such as amide formation or esterification. Its structure suggests potential applications in pharmaceuticals, particularly as a building block for drug synthesis or as an intermediate in organic synthesis. Additionally, the presence of both functional groups may enhance its reactivity and interaction with biological systems, making it of interest in medicinal chemistry. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₉H₁₁NO₂

InChI: InChI=1S/C9H11NO2/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4H,5,10H2,1H3,(H,11,12)

InChI key: InChIKey=JHAJXDFHVMMERO-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C)C(CN)=CC=C1

Synonyms:

• Benzoic acid, 3-(aminomethyl)-2-methyl-
• 3-(Aminomethyl)-2-methylbenzoic acid