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CAS 1423040-66-7

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Benzenepropanoic acid, β-amino-3,5-dichloro-, methyl ester, hydrochloride (1:1), (βS)-

Description:
Benzenepropanoic acid, β-amino-3,5-dichloro-, methyl ester, hydrochloride (1:1), (βS)- is a chemical compound characterized by its complex structure, which includes a benzene ring, a propanoic acid moiety, and a β-amino group. The presence of dichloro substituents at the 3 and 5 positions of the benzene ring contributes to its reactivity and potential biological activity. As a methyl ester, it features an ester functional group that can influence its solubility and reactivity in various chemical environments. The hydrochloride form indicates that the compound is a salt, which typically enhances its stability and solubility in aqueous solutions. This compound may exhibit specific stereochemistry due to the (βS)- designation, which can affect its interaction with biological systems. Overall, its unique combination of functional groups and substituents suggests potential applications in pharmaceuticals or agrochemicals, although specific biological activities would require further investigation.
Formula:C10H11Cl2NO2·ClH
InChI:InChI=1S/C10H11Cl2NO2.ClH/c1-15-10(14)5-9(13)6-2-7(11)4-8(12)3-6;/h2-4,9H,5,13H2,1H3;1H/t9-;/m0./s1
InChI key:InChIKey=IXGCQMRPAAXSKH-FVGYRXGTSA-N
SMILES:[C@@H](CC(OC)=O)(N)C1=CC(Cl)=CC(Cl)=C1.Cl
Synonyms:
  • Benzenepropanoic acid, β-amino-3,5-dichloro-, methyl ester, hydrochloride (1:1), (βS)-
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