CAS 1049749-92-9

Benzoic acid, 4-chloro-, 2,5-dimethyl-4-(4-morpholinylmethyl)phenyl ester, hydrochloride (1:1)

Description:

Benzoic acid, 4-chloro-, 2,5-dimethyl-4-(4-morpholinylmethyl)phenyl ester, hydrochloride (1:1), with CAS number 1049749-92-9, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety substituted with chlorine and methyl groups, as well as a morpholine group. This compound typically exhibits properties associated with both aromatic and aliphatic functionalities, contributing to its potential solubility in organic solvents. The presence of the hydrochloride indicates that it is a salt form, which can enhance its stability and solubility in aqueous environments. Its molecular structure suggests potential applications in pharmaceuticals or as an intermediate in organic synthesis, particularly due to the morpholine group, which is often associated with biological activity. Additionally, the chlorine substituent may influence its reactivity and interaction with biological targets. As with many chemical substances, safety data and handling precautions should be considered, particularly regarding its potential toxicity and environmental impact.

Formula: C₂₀H₂₂ClNO₃·ClH

InChI: InChI=1S/C20H22ClNO3.ClH/c1-14-12-19(25-20(23)16-3-5-18(21)6-4-16)15(2)11-17(14)13-22-7-9-24-10-8-22;/h3-6,11-12H,7-10,13H2,1-2H3;1H

InChI key: InChIKey=YXKLYDSTWUFFKL-UHFFFAOYSA-N

SMILES: C(C1=C(C)C=C(OC(=O)C2=CC=C(Cl)C=C2)C(C)=C1)N3CCOCC3.Cl

Synonyms:

• Benzoic acid, 4-chloro-, 2,5-dimethyl-4-(4-morpholinylmethyl)phenyl ester, hydrochloride (1:1)