CAS 1072438-63-1

Benzoic acid, 3-(2-amino-1-methylethyl)-, methyl ester, hydrochloride (1:1)

Description:

Benzoic acid, 3-(2-amino-1-methylethyl)-, methyl ester, hydrochloride (1:1) 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 is typically 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 basic properties, while the benzoic acid component may impart weak acidity. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular interactions can be influenced by the ester and amine functionalities, which may affect its reactivity and stability. As with many organic compounds, proper handling and storage are essential to maintain its integrity and prevent degradation. Safety data sheets should be consulted for specific handling guidelines and potential hazards associated with this substance.

Formula: C₁₁H₁₅NO₂·ClH

InChI: InChI=1S/C11H15NO2.ClH/c1-8(7-12)9-4-3-5-10(6-9)11(13)14-2;/h3-6,8H,7,12H2,1-2H3;1H

InChI key: InChIKey=SUEOWKDCQQPYRY-UHFFFAOYSA-N

SMILES: C(CN)(C)C1=CC(C(OC)=O)=CC=C1.Cl

Synonyms:

• Benzoic acid, 3-(2-amino-1-methylethyl)-, methyl ester, hydrochloride (1:1)