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CAS 446828-79-1

:

N-(3-Methylbenzoyl)-β-alanine

Description:
N-(3-Methylbenzoyl)-β-alanine, identified by its CAS number 446828-79-1, is an organic compound that features a β-alanine backbone substituted with a 3-methylbenzoyl group. This compound typically exhibits characteristics common to amino acids, including the presence of both an amino group (-NH2) and a carboxylic acid group (-COOH), which contribute to its potential as a zwitterion in solution. The 3-methylbenzoyl moiety introduces aromatic characteristics, influencing the compound's solubility, stability, and reactivity. It may exhibit moderate polarity due to the presence of the polar amino and carboxylic acid groups, while the aromatic ring can enhance hydrophobic interactions. This compound may be of interest in various fields, including pharmaceuticals and biochemistry, due to its potential role in peptide synthesis or as a building block in drug development. Its specific properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied.
Formula:C11H13NO3
InChI:InChI=1S/C11H13NO3/c1-8-3-2-4-9(7-8)11(15)12-6-5-10(13)14/h2-4,7H,5-6H2,1H3,(H,12,15)(H,13,14)
InChI key:InChIKey=NBRIQMGRSUGDRU-UHFFFAOYSA-N
SMILES:C(NCCC(O)=O)(=O)C1=CC(C)=CC=C1
Synonyms:
  • N-(3-Methylbenzoyl)-β-alanine
  • 3-[(3-Methylbenzoyl)amino]propanoic acid
  • β-Alanine, N-(3-methylbenzoyl)-
  • 3-[(3-Methylphenyl)formamido]propanoic acid
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