CAS 1177284-80-8

1H-Azepine, 2-(2,4-dimethylphenyl)hexahydro-, ethanedioate (1:1)

Description:

1H-Azepine, 2-(2,4-dimethylphenyl)hexahydro-, ethanedioate (1:1), with CAS number 1177284-80-8, is a chemical compound characterized by its unique structure that includes a seven-membered nitrogen-containing ring (azepine) and a substituted phenyl group. The presence of the 2,4-dimethylphenyl moiety indicates that the compound has two methyl groups attached to the phenyl ring, which can influence its reactivity and physical properties. The ethanedioate component suggests that the compound forms a salt or complex with ethanoic acid, contributing to its stability and solubility in various solvents. This compound may exhibit interesting biological or pharmacological properties due to its structural features, making it a subject of interest in medicinal chemistry. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its applications could range from pharmaceuticals to materials science, depending on its specific properties and interactions. As with any chemical substance, safety data and handling precautions should be consulted before use.

Formula: C₁₄H₂₁N·C₂H₂O₄

InChI: InChI=1S/C14H21N.C2H2O4/c1-11-7-8-13(12(2)10-11)14-6-4-3-5-9-15-14;3-1(4)2(5)6/h7-8,10,14-15H,3-6,9H2,1-2H3;(H,3,4)(H,5,6)

InChI key: InChIKey=RRJYKLMHXFRNGP-UHFFFAOYSA-N

SMILES: CC1=C(C2CCCCCN2)C=CC(C)=C1.C(C(O)=O)(O)=O

Synonyms:

• 1H-Azepine, 2-(2,4-dimethylphenyl)hexahydro-, ethanedioate (1:1)