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CAS 1217809-78-3

:

Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, hydrochloride (1:1), (βS)-

Description:
Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, hydrochloride (1:1), (βS)- is a chemical compound characterized by its complex structure, which includes a benzenebutanoic acid moiety and a β-amino group with trifluoromethyl substituents. The presence of the trifluoro groups imparts unique electronic and steric properties, enhancing its potential biological activity. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, which is advantageous for pharmaceutical applications. The (βS)- designation indicates the specific stereochemistry of the β-amino group, which can influence the compound's interaction with biological targets, such as receptors or enzymes. This compound may exhibit properties relevant to medicinal chemistry, particularly in the development of drugs targeting specific pathways. Its CAS number, 1217809-78-3, allows for precise identification in chemical databases and literature. Overall, the characteristics of this compound suggest potential utility in various chemical and biological applications, warranting further investigation into its properties and effects.
Formula:C10H10F3NO2·ClH
InChI:InChI=1S/C10H10F3NO2.ClH/c11-7-4-9(13)8(12)2-5(7)1-6(14)3-10(15)16;/h2,4,6H,1,3,14H2,(H,15,16);1H/t6-;/m0./s1
InChI key:InChIKey=FZHZEWNJQKHBTG-RGMNGODLSA-N
SMILES:C([C@@H](CC(O)=O)N)C1=C(F)C=C(F)C(F)=C1.Cl
Synonyms:
  • Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, hydrochloride (1:1), (βS)-
  • (S)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid hydrochloride
  • (s)-3-Amino-4-(2,4,5-trifluoro-phenyl)-butyric acid-hydrochloride
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