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CAS 1150114-64-9

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Benzoic acid, 3-amino-4-borono-, 1-(1-methylethyl) ester, hydrochloride (1:1)

Description:
Benzoic acid, 3-amino-4-borono-, 1-(1-methylethyl) ester, hydrochloride (1:1), with CAS number 1150114-64-9, is a chemical compound characterized by its complex structure that includes a benzoic acid moiety, an amino group, and a boron-containing group. This compound typically appears as a white to off-white solid and is soluble in polar solvents, reflecting its ionic nature due to the hydrochloride form. The presence of the boron atom suggests potential applications in medicinal chemistry, particularly in drug design and development, as boron compounds can enhance biological activity and selectivity. The amino group may contribute to its reactivity and ability to form hydrogen bonds, which can influence its interaction with biological targets. Additionally, the ester functionality indicates that it may undergo hydrolysis under certain conditions, releasing the corresponding alcohol and benzoic acid. Overall, this compound's unique combination of functional groups positions it as a potentially valuable substance in various chemical and pharmaceutical applications.
Formula:C10H14BNO4·ClH
InChI:InChI=1S/C10H14BNO4.ClH/c1-6(2)16-10(13)7-3-4-8(11(14)15)9(12)5-7;/h3-6,14-15H,12H2,1-2H3;1H
InChI key:InChIKey=VMZVJIYHNDCEDU-UHFFFAOYSA-N
SMILES:C(OC(C)C)(=O)C1=CC(N)=C(B(O)O)C=C1.Cl
Synonyms:
  • Benzoic acid, 3-amino-4-borono-, 1-(1-methylethyl) ester, hydrochloride (1:1)
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