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CAS 930769-57-6

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Benzenepropanoic acid, β-amino-4-fluoro-, hydrochloride (1:1), (βS)-

Description:
Benzenepropanoic acid, β-amino-4-fluoro-, hydrochloride (1:1), (βS)- is a chemical compound characterized by its structural features that include a benzene ring, a propanoic acid moiety, and a β-amino group with a fluorine substituent at the para position of the benzene ring. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in water and may influence its pharmacological properties. The presence of the β-amino group suggests potential biological activity, possibly as a neurotransmitter or in other biochemical pathways. The fluorine atom can impart unique electronic properties, potentially affecting the compound's reactivity and interaction with biological targets. As a hydrochloride, it is likely to be a stable, crystalline solid under standard conditions. The stereochemistry indicated by (βS)- suggests a specific three-dimensional arrangement of atoms, which can be crucial for its biological activity and interactions. Overall, this compound may have applications in medicinal chemistry or as a research chemical, although specific uses would depend on further studies and evaluations.
Formula:C9H10FNO2·ClH
InChI:InChI=1S/C9H10FNO2.ClH/c10-7-3-1-6(2-4-7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m0./s1
InChI key:InChIKey=WYDDUVABUITTBX-QRPNPIFTSA-N
SMILES:[C@@H](CC(O)=O)(N)C1=CC=C(F)C=C1.Cl
Synonyms:
  • Benzenepropanoic acid, β-amino-4-fluoro-, hydrochloride (1:1), (βS)-
  • (S)-3-Amino-3-(4-fluorophenyl)propanoic acid hydrochloride
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