4-[(2-Methylphenyl)amino]-4-oxobutanoic acid

CAS: 37600-45-6

Ref. 3D-FM126511

Product Information

• Name: 4-[(2-Methylphenyl)amino]-4-oxobutanoic acid
• Synonyms: butanoic acid, 4-[(2-methylphenyl)amino]-4-oxo-

Description

4-Hydroxybenzoic acid (4HB) is a carboxylic acid that belongs to the group of phenylacetic acids. It has an odor similar to benzene and is soluble in water. 4HB can be found in many fruits and vegetables, such as apples, cherries, and tomatoes. This compound has a crystal structure consisting of two molecules arranged head to tail. In this form, it is able to interact with other molecules or ions through hydrogen bonding. 4HB can also exist as dimers in the solid state, which may have conformations different from those present in monomers. The amide bond between the two molecules is broken during these conformational changes.

• Brand: Biosynth

Chemical properties

• Molecular weight: 207.23 g/mol
• Formula: C₁₁H₁₃NO₃
• Purity: Min. 95%
• InChI: InChI=1S/C11H13NO3/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)
• InChI key: InChIKey=JGLMJUORSRRINV-UHFFFAOYSA-N
• SMILES: Cc1ccccc1NC(=O)CCC(=O)O