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CAS 331763-71-4

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Benzenebutanoic acid, β-amino-4-bromo-, hydrochloride (1:1), (βS)-

Description:
Benzenebutanoic acid, β-amino-4-bromo-, hydrochloride (1:1), (βS)- is a chemical compound characterized by its structural features that include a benzene ring, a butanoic acid moiety, and a β-amino group, along with a bromine substituent at the para position of the benzene ring. The presence of the hydrochloride indicates that it is a salt formed with hydrochloric acid, which enhances its solubility in water and may influence its biological activity. This compound is likely to exhibit properties typical of both amino acids and carboxylic acids, such as the ability to participate in hydrogen bonding and form zwitterionic species in solution. Its stereochemistry, denoted by (βS)-, suggests a specific spatial arrangement of its atoms, which can significantly affect its reactivity and interaction with biological targets. The compound may have applications in pharmaceuticals or biochemistry, particularly in studies related to amino acid derivatives or as a potential intermediate in organic synthesis.
Formula:C10H12BrNO2·ClH
InChI:InChI=1S/C10H12BrNO2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m0./s1
InChI key:InChIKey=QMUGXLUXLGZZSC-FVGYRXGTSA-N
SMILES:C([C@@H](CC(O)=O)N)C1=CC=C(Br)C=C1.Cl
Synonyms:
  • Benzenebutanoic acid, β-amino-4-bromo-, hydrochloride (1:1), (βS)-
  • Benzenebutanoic acid, β-amino-4-bromo-, hydrochloride, (βS)-
  • Benzenebutanoicacid, b-amino-4-bromo-, hydrochloride, (bS)- (9CI)
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