CAS 866157-48-4

N-(4-Methyl-2,6-dinitrophenyl)-β-alanine

Description:

N-(4-Methyl-2,6-dinitrophenyl)-β-alanine, identified by its CAS number 866157-48-4, is an organic compound characterized by its unique structure, which includes a β-alanine moiety linked to a 4-methyl-2,6-dinitrophenyl group. This compound typically exhibits properties associated with both amino acids and nitroaromatic compounds. It is likely to be a solid at room temperature, with potential solubility in polar solvents due to the presence of the amino group. The dinitrophenyl group contributes to its reactivity, particularly in electrophilic substitution reactions, and may also impart significant color properties, making it useful in various analytical applications. Additionally, the presence of nitro groups suggests that the compound may exhibit explosive characteristics under certain conditions, necessitating careful handling. Its biological activity could be of interest in pharmacological studies, particularly in relation to its interactions with biological systems. Overall, this compound represents a fascinating intersection of organic chemistry and potential applications in research and industry.

Formula: C₁₀H₁₁N₃O₆

InChI: InChI=1S/C10H11N3O6/c1-6-4-7(12(16)17)10(8(5-6)13(18)19)11-3-2-9(14)15/h4-5,11H,2-3H2,1H3,(H,14,15)

InChI key: InChIKey=YTKCWLFDORXSBY-UHFFFAOYSA-N

SMILES: N(CCC(O)=O)C1=C(N(=O)=O)C=C(C)C=C1N(=O)=O

Synonyms:

• N-(4-Methyl-2,6-dinitrophenyl)-β-alanine
• 3-[(4-Methyl-2,6-dinitrophenyl)amino]propanoic acid
• 3-(4-Methyl-2,6-dinitroanilino)propanoic acid
• β-Alanine, N-(4-methyl-2,6-dinitrophenyl)-