CAS 1000340-07-7

3-[(Cyanomethyl)amino]-2-methylbenzoic acid

Description:

3-[(Cyanomethyl)amino]-2-methylbenzoic acid, identified by its CAS number 1000340-07-7, is an organic compound characterized by the presence of both an amino group and a carboxylic acid functional group, which contribute to its acidic properties. The compound features a benzoic acid core substituted with a methyl group and a cyanomethylamino group, which enhances its reactivity and potential applications in organic synthesis. Its structure suggests it may exhibit polar characteristics due to the presence of the carboxylic acid and amino groups, allowing for hydrogen bonding and solubility in polar solvents. The cyanomethyl group introduces a nitrile functionality, which can participate in various chemical reactions, making this compound of interest in medicinal chemistry and materials science. Additionally, the presence of multiple functional groups may influence its biological activity, stability, and interaction with other molecules. Overall, this compound's unique structure positions it as a versatile building block in synthetic organic chemistry.

Formula: C₁₀H₁₀N₂O₂

InChI: InChI=1S/C10H10N2O2/c1-7-8(10(13)14)3-2-4-9(7)12-6-5-11/h2-4,12H,6H2,1H3,(H,13,14)

InChI key: InChIKey=JKWRDAHAMJNQAC-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C)C(NCC#N)=CC=C1

Synonyms:

• 3-[(Cyanomethyl)amino]-2-methylbenzoic acid
• Benzoic acid, 3-[(cyanomethyl)amino]-2-methyl-

3-(CYANOMETHYLAMINO)-2-METHYLBENZOIC ACID

CAS: 1000340-07-7

Formula: C₁₀H₁₀N₂O₂

Purity: 95.0%

Molecular weight: 190.202

Ref: 10-F306429