CAS 1187930-59-1

Benzoic acid, 2-amino-4,5-dimethyl-, methyl ester, hydrochloride (1:1)

Description:

Benzoic acid, 2-amino-4,5-dimethyl-, methyl ester, hydrochloride (1:1), with CAS number 1187930-59-1, is a chemical compound characterized by its structural features that include a benzoic acid moiety with an amino group and two methyl substituents on the aromatic ring. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, which enhances its utility in various applications. This compound may exhibit properties such as being a weak acid due to the presence of the carboxylic acid group, while the amino group can impart basic characteristics. The methyl ester functionality suggests potential reactivity in esterification and hydrolysis reactions. In biological contexts, it may serve as a building block for pharmaceuticals or agrochemicals, given its structural diversity. Additionally, the presence of both hydrophilic and hydrophobic groups can influence its interaction with biological membranes and its overall bioavailability. Safety data should be consulted for handling and usage, as with any chemical substance.

Formula: C₁₀H₁₃NO₂·ClH

InChI: InChI=1S/C10H13NO2.ClH/c1-6-4-8(10(12)13-3)9(11)5-7(6)2;/h4-5H,11H2,1-3H3;1H

InChI key: InChIKey=ORWSQTNKRKZUMQ-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(N)C=C(C)C(C)=C1.Cl

Synonyms:

• Benzoic acid, 2-amino-4,5-dimethyl-, methyl ester, hydrochloride (1:1)