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CAS 332061-79-7

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Benzenebutanoic acid, β-amino-3-(trifluoromethyl)-, hydrochloride (1:1), (βS)-

Description:
Benzenebutanoic acid, β-amino-3-(trifluoromethyl)-, hydrochloride (1:1), (βS)-, is a chemical compound characterized by its unique structure that includes a benzenebutanoic acid moiety and a β-amino group with a trifluoromethyl substituent. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in water and facilitates its use in various applications. The presence of the trifluoromethyl group contributes to its lipophilicity and can influence its biological activity, making it of interest in pharmaceutical research. The (βS)- configuration indicates a specific stereochemistry, which can be crucial for its interaction with biological targets. This compound may exhibit properties such as moderate to high melting points and stability under standard laboratory conditions. Its potential applications could span across medicinal chemistry, particularly in the development of drugs targeting specific receptors or enzymes. As with many fluorinated compounds, it may also exhibit unique reactivity patterns and environmental considerations due to the presence of fluorine atoms.
Formula:C11H12F3NO2·ClH
InChI:InChI=1S/C11H12F3NO2.ClH/c12-11(13,14)8-3-1-2-7(4-8)5-9(15)6-10(16)17;/h1-4,9H,5-6,15H2,(H,16,17);1H/t9-;/m0./s1
InChI key:InChIKey=NFVRYVAWNUBDCU-FVGYRXGTSA-N
SMILES:C([C@@H](CC(O)=O)N)C1=CC(C(F)(F)F)=CC=C1.Cl
Synonyms:
  • Benzenebutanoic acid, β-amino-3-(trifluoromethyl)-, hydrochloride, (βS)-
  • Benzenebutanoic acid, β-amino-3-(trifluoromethyl)-, hydrochloride (1:1), (βS)-
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