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CAS 1354940-98-9

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

Description:
Benzenepropanoic acid, β-amino-4-bromo-, ethyl ester, hydrochloride (1:1), (βS)- is a chemical compound characterized by its structural features that include a benzene ring, a propanoic acid moiety, and an ethyl ester functional group. The presence of a β-amino group indicates that it contains an amino group attached to the β-carbon of the propanoic acid, which can influence its reactivity and biological activity. The compound is also halogenated, featuring a bromine atom at the 4-position of the benzene ring, which can enhance its pharmacological properties. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, facilitating its use in various applications, including pharmaceuticals. The (βS)- designation indicates the specific stereochemistry of the β-amino group, which can be crucial for its biological interactions. Overall, this compound may exhibit interesting properties relevant to medicinal chemistry, particularly in the development of drugs targeting specific biological pathways.
Formula:C11H14BrNO2·ClH
InChI:InChI=1S/C11H14BrNO2.ClH/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H/t10-;/m0./s1
InChI key:InChIKey=XHINNSPOAIKUHT-PPHPATTJSA-N
SMILES:[C@@H](CC(OCC)=O)(N)C1=CC=C(Br)C=C1.Cl
Synonyms:
  • Benzenepropanoic acid, β-amino-4-bromo-, ethyl ester, hydrochloride (1:1), (βS)-
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