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CAS 332061-87-7

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Benzenebutanoic acid, β-amino-3-cyano-, hydrochloride (1:1), (βR)-

Description:
Benzenebutanoic acid, β-amino-3-cyano-, hydrochloride (1:1), (βR)- is a chemical compound characterized by its complex structure, which includes a benzenebutanoic acid moiety and a β-amino group, along with a cyano functional group. The presence of the hydrochloride indicates that it is a salt formed with hydrochloric acid, enhancing its solubility in water and making it suitable for various applications in biological and pharmaceutical contexts. The (βR)- designation refers to the specific stereochemistry of the β-amino group, which can influence the compound's biological activity and interaction with receptors. 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 cyano group can also contribute to reactivity, making it a potential candidate for further chemical modifications. Overall, the unique combination of functional groups in this compound suggests potential utility in medicinal chemistry and research applications.
Formula:C11H12N2O2·ClH
InChI:InChI=1S/C11H12N2O2.ClH/c12-7-9-3-1-2-8(4-9)5-10(13)6-11(14)15;/h1-4,10H,5-6,13H2,(H,14,15);1H/t10-;/m1./s1
InChI key:InChIKey=NJAIOCXWQMXNIX-HNCPQSOCSA-N
SMILES:C([C@H](CC(O)=O)N)C1=CC(C#N)=CC=C1.Cl
Synonyms:
  • Benzenebutanoic acid, β-amino-3-cyano-, monohydrochloride, (βR)-
  • Benzenebutanoic acid, β-amino-3-cyano-, hydrochloride (1:1), (βR)-
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