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CAS 502842-12-8

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Benzenepropanoic acid, β-amino-4-methyl-, ethyl ester, hydrochloride (1:1)

Description:
Benzenepropanoic acid, β-amino-4-methyl-, ethyl ester, hydrochloride (1:1), with the CAS number 502842-12-8, is a chemical compound characterized by its structure, which includes a benzene ring, a propanoic acid moiety, and an ethyl ester functional group. This compound features a β-amino group, indicating the presence of an amino group attached to the second carbon of the propanoic acid chain, which can influence its reactivity and biological activity. The hydrochloride form suggests that the compound is a salt, enhancing its solubility in water and stability. Typically, such compounds may exhibit properties relevant to pharmaceuticals, including potential roles as intermediates in drug synthesis or as active pharmaceutical ingredients. The presence of the methyl group on the benzene ring can affect the compound's lipophilicity and interaction with biological targets. Overall, this compound's characteristics make it of interest in medicinal chemistry and related fields, although specific applications would depend on further research and analysis.
Formula:C12H17NO2·ClH
InChI:InChI=1S/C12H17NO2.ClH/c1-3-15-12(14)8-11(13)10-6-4-9(2)5-7-10;/h4-7,11H,3,8,13H2,1-2H3;1H
InChI key:InChIKey=QFMZCYZEPUYABQ-UHFFFAOYSA-N
SMILES:C(CC(OCC)=O)(N)C1=CC=C(C)C=C1.Cl
Synonyms:
  • Benzenepropanoic acid, β-amino-4-methyl-, ethyl ester, hydrochloride (1:1)
  • 3-Amino-3-p-tolyl-propionic acid ethyl ester; hydrochloride
  • Benzenepropanoic acid, β-amino-4-methyl-, ethyl ester, hydrochloride
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