CAS 1177331-37-1

1H-Azepine, 2-(3-chloro-4,5-dimethoxyphenyl)hexahydro-, hydrochloride (1:1)

Description:

1H-Azepine, 2-(3-chloro-4,5-dimethoxyphenyl)hexahydro-, hydrochloride (1:1) is a chemical compound characterized by its unique structure, which includes a seven-membered azepine ring and a substituted phenyl group. The presence of the chloro and methoxy groups on the phenyl ring contributes to its chemical reactivity and potential biological activity. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, which can enhance its utility in pharmaceutical applications. The compound may exhibit properties relevant to medicinal chemistry, particularly in the development of therapeutic agents. Its molecular interactions, stability, and potential pharmacological effects would be of interest in research contexts. Safety and handling precautions should be observed due to the presence of chlorine, which can impart toxicity. Overall, this compound represents a class of heterocyclic compounds that may have implications in drug development and organic synthesis.

Formula: C₁₄H₂₀ClNO₂·ClH

InChI: InChI=1S/C14H20ClNO2.ClH/c1-17-13-9-10(8-11(15)14(13)18-2)12-6-4-3-5-7-16-12;/h8-9,12,16H,3-7H2,1-2H3;1H

InChI key: InChIKey=UQMWBBPBMIHZQT-UHFFFAOYSA-N

SMILES: O(C)C=1C=C(C=C(Cl)C1OC)C2CCCCCN2.Cl

Synonyms:

• 1H-Azepine, 2-(3-chloro-4,5-dimethoxyphenyl)hexahydro-, hydrochloride (1:1)