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CAS 1269634-09-4

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Benzenepropanoic acid, β-amino-3-chloro-, methyl ester, hydrochloride (1:1)

Description:
Benzenepropanoic acid, β-amino-3-chloro-, methyl ester, hydrochloride (1:1) is a chemical compound characterized by its structural features, which include a benzene ring, a propanoic acid moiety, and a β-amino group. The presence of a chlorine atom at the 3-position of the propanoic acid contributes to its reactivity and potential biological activity. As a methyl ester, it indicates that the carboxylic acid group is esterified with methanol, which can influence its solubility and stability. The hydrochloride form suggests that the compound is a salt, enhancing its solubility in water and making it suitable for various applications, including pharmaceutical formulations. This compound may exhibit properties typical of amino acids and esters, such as potential interactions with biological systems, and could be of interest in medicinal chemistry for its possible therapeutic effects. Its specific characteristics, including melting point, solubility, and reactivity, would depend on the precise molecular structure and the conditions under which it is studied.
Formula:C10H12ClNO2·ClH
InChI:InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7;/h2-5,9H,6,12H2,1H3;1H
InChI key:InChIKey=TYCGNNWQXFHZBW-UHFFFAOYSA-N
SMILES:C(CC(OC)=O)(N)C1=CC(Cl)=CC=C1.Cl
Synonyms:
  • Benzenepropanoic acid, β-amino-3-chloro-, methyl ester, hydrochloride (1:1)
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