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CAS 336182-13-9

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

Description:
Benzenebutanoic acid, β-amino-4-hydroxy-, hydrochloride (1:1), (βS)- is a chemical compound characterized by its structural features that include a benzenebutanoic acid backbone with a β-amino group and a hydroxy group at the 4-position of the benzene ring. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in water and may influence its biological activity. The presence of the amino and hydroxy functional groups suggests that it may participate in hydrogen bonding, affecting its interactions with biological molecules. The (βS)- designation indicates the specific stereochemistry of the β-amino group, which can be crucial for its pharmacological properties. This compound may be of interest in medicinal chemistry and pharmaceutical research due to its potential therapeutic applications. Its CAS number, 336182-13-9, allows for precise identification and retrieval of information regarding its properties, synthesis, and applications in scientific literature.
Formula:C10H13NO3·ClH
InChI:InChI=1S/C10H13NO3.ClH/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7;/h1-4,8,12H,5-6,11H2,(H,13,14);1H/t8-;/m0./s1
InChI key:InChIKey=HCZHTEBBIGUZTQ-QRPNPIFTSA-N
SMILES:C([C@@H](CC(O)=O)N)C1=CC=C(O)C=C1.Cl
Synonyms:
  • Benzenebutanoic acid, β-amino-4-hydroxy-, hydrochloride, (βS)-
  • Benzenebutanoic acid, β-amino-4-hydroxy-, hydrochloride (1:1), (βS)-
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