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CAS 1449131-17-2

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Benzeneacetic acid, 4-chloro-α-[[(1-methylethyl)amino]methyl]-, hydrochloride (1:1), (αS)-

Description:
Benzeneacetic acid, 4-chloro-α-[[(1-methylethyl)amino]methyl]-, hydrochloride (1:1), (αS)-, is a chemical compound characterized by its complex structure, which includes a benzene ring, a chloro substituent, and an amino group. This compound is typically classified as an amino acid derivative and is known for its potential biological activity, particularly in pharmaceutical applications. The presence of the hydrochloride indicates that it is a salt form, which often enhances solubility in water and stability. The (αS)- designation refers to its specific stereochemistry, indicating that it has a particular spatial arrangement of atoms that can influence its biological interactions. As a hydrochloride salt, it is likely to be more stable and easier to handle than its free base form. This compound may exhibit properties such as being a potential intermediate in drug synthesis or having specific interactions with biological targets, making it of interest in medicinal chemistry and pharmacology.
Formula:C12H17Cl2NO2
InChI:InChI=1S/C12H16ClNO2.ClH/c1-8(2)14-7-11(12(15)16)9-3-5-10(13)6-4-9;/h3-6,8,11,14H,7H2,1-2H3,(H,15,16);1H/t11-;/m1./s1
InChI key:InChIKey=OIAUGYAYLIUNEB-RFVHGSKJSA-N
SMILES:[C@H](CNC(C)C)(C(O)=O)C1=CC=C(Cl)C=C1.Cl
Synonyms:
  • Benzeneacetic acid, 4-chloro-α-[[(1-methylethyl)amino]methyl]-, hydrochloride (1:1), (αS)-
  • (2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoic acid
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