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CAS 167834-24-4

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

Description:
Benzenepropanoic acid, β-amino-, ethyl ester, hydrochloride (1:1), (βS)-, is a chemical compound characterized by its structure, which includes a benzene ring, a propanoic acid moiety, and an ethyl ester functional group, along with a β-amino group. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in water and facilitates its use in various applications, particularly in pharmaceuticals. The presence of the β-amino group suggests potential biological activity, making it of interest in medicinal chemistry. The stereochemistry indicated by (βS)- denotes the specific spatial arrangement of atoms, which can significantly influence the compound's reactivity and interaction with biological targets. As a hydrochloride salt, it is likely to exhibit improved stability and bioavailability compared to its free base form. Overall, this compound's unique structural features contribute to its potential utility in research and therapeutic contexts, particularly in the development of drugs targeting specific biological pathways.
Formula:C11H15NO2·ClH
InChI:InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-;/m0./s1
InChI key:InChIKey=ATSZQDTVNRNXKB-PPHPATTJSA-N
SMILES:[C@@H](CC(OCC)=O)(N)C1=CC=CC=C1.Cl
Synonyms:
  • (1S)-3-ethoxy-3-oxo-1-phenylpropan-1-aminium
  • Benzenepropanoic acid, β-amino-, ethyl ester, hydrochloride (1:1), (βS)-
  • Benzenepropanoic acid, β-amino-, ethyl ester, hydrochloride, (S)-
  • Benzenepropanoic acid, β-amino-, ethyl ester, hydrochloride, (βS)-
  • S-3-Amino-3-phenylpropanoic acid ethyl ester HCL
  • (S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride
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