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CAS 1221726-14-2

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Benzoic acid, 2-amino-5-(1-methylethyl)-, methyl ester, hydrochloride (1:1)

Description:
Benzoic acid, 2-amino-5-(1-methylethyl)-, methyl ester, hydrochloride (1:1), with CAS number 1221726-14-2, is a chemical compound characterized by its structure, which includes a benzoic acid moiety, an amino group, and a methyl ester functional group. This compound typically appears as a white to off-white crystalline solid and is soluble in water due to the presence of the hydrochloride salt form, which enhances its solubility compared to the free base. The presence of the amino group suggests potential for basicity and reactivity in various chemical reactions, including those involving nucleophilic substitution. Its methyl ester form indicates that it can undergo hydrolysis to release benzoic acid and methanol. This compound may have applications in pharmaceuticals or as an intermediate in organic synthesis, given its functional groups that can participate in further chemical transformations. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper laboratory practices.
Formula:C11H15NO2·ClH
InChI:InChI=1S/C11H15NO2.ClH/c1-7(2)8-4-5-10(12)9(6-8)11(13)14-3;/h4-7H,12H2,1-3H3;1H
InChI key:InChIKey=RJXNLVXNUGTWCF-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(C(C)C)=CC=C1N.Cl
Synonyms:
  • Benzoic acid, 2-amino-5-(1-methylethyl)-, methyl ester, hydrochloride (1:1)
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