CAS 331942-46-2

3-[(Phenylamino)methyl]benzoic acid

Description:

3-[(Phenylamino)methyl]benzoic acid, identified by its CAS number 331942-46-2, is an organic compound characterized by its structure, which features a benzoic acid moiety substituted with a phenylamino group at the 3-position. This compound typically exhibits properties associated with both aromatic amines and carboxylic acids, including potential solubility in polar solvents and moderate to low solubility in non-polar solvents. The presence of the carboxylic acid functional group suggests acidic behavior, allowing it to participate in acid-base reactions. Additionally, the phenylamino group can influence the compound's reactivity and interactions, potentially enhancing its ability to form hydrogen bonds. This compound may also exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure allows for various applications in organic synthesis and medicinal chemistry, where modifications can lead to derivatives with enhanced properties. Safety and handling considerations should be observed due to the potential toxicity associated with aromatic amines.

Formula: C₁₄H₁₃NO₂

InChI: InChI=1S/C14H13NO2/c16-14(17)12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9,15H,10H2,(H,16,17)

InChI key: InChIKey=OYVGWXUICDQOKV-UHFFFAOYSA-N

SMILES: C(NC1=CC=CC=C1)C2=CC(C(O)=O)=CC=C2

Synonyms:

• Benzoic acid, 3-[(phenylamino)methyl]-
• 3-[(Phenylamino)methyl]benzoic acid

DHFR-IN-2

CAS: 331942-46-2

DHFR-IN-2 (4e) is a potent MtDHFR uncompetitive inhibitor with a 7 μM IC50, promising for TB research.

Formula: C₁₄H₁₃NO₂

Color and Shape: Solid

Molecular weight: 227.26

Ref: TM-T60286