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CAS 331763-54-3

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

Description:
Benzenebutanoic acid, β-amino-3-chloro-, hydrochloride (1:1), (βS)- is a chemical compound characterized by its structural features, which include a benzenebutanoic acid moiety with a β-amino group and a chlorine substituent at the 3-position of the carbon chain. This compound exists as a hydrochloride salt, indicating that it is protonated and soluble in water, which enhances its bioavailability. The (βS)- designation refers to the specific stereochemistry of the β-amino group, indicating its configuration in three-dimensional space. This compound may exhibit properties typical of both amino acids and carboxylic acids, such as the ability to participate in hydrogen bonding and form salts. Its potential applications could span various fields, including pharmaceuticals, where it may serve as an intermediate or active ingredient in drug formulations. The presence of the chlorine atom may also influence its reactivity and interaction with biological systems. Overall, this compound's unique structure contributes to its chemical behavior and potential utility in research and industry.
Formula:C10H12ClNO2·ClH
InChI:InChI=1S/C10H12ClNO2.ClH/c11-8-3-1-2-7(4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m0./s1
InChI key:InChIKey=MRFPEMYQUCEGDY-FVGYRXGTSA-N
SMILES:C([C@@H](CC(O)=O)N)C1=CC(Cl)=CC=C1.Cl
Synonyms:
  • Benzenebutanoic acid, β-amino-3-chloro-, hydrochloride (1:1), (βS)-
  • Benzenebutanoic acid, β-amino-3-chloro-, hydrochloride, (βS)-
  • Benzenebutanoicacid, b-amino-3-chloro-, hydrochloride, (bS)- (9CI)
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