CAS 78553-62-5

1-(Hexahydro-1H-azepin-1-yl)-1,3-butanedione

Description:

1-(Hexahydro-1H-azepin-1-yl)-1,3-butanedione, with the CAS number 78553-62-5, is a chemical compound characterized by its unique structure that includes a hexahydroazepine ring and a butanedione moiety. This compound typically exhibits properties associated with both cyclic amines and diketones, which may influence its reactivity and interactions in various chemical environments. It is likely to be a solid or liquid at room temperature, depending on its specific formulation and purity. The presence of the azepine ring suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to interact with biological systems. Additionally, the diketone functionality may contribute to its reactivity, allowing for potential participation in condensation reactions or as a building block in organic synthesis. Safety and handling precautions should be observed, as with many organic compounds, to mitigate any risks associated with exposure or reactivity.

Formula: C₁₀H₁₇NO₂

InChI: InChI=1S/C10H17NO2/c1-9(12)8-10(13)11-6-4-2-3-5-7-11/h2-8H2,1H3

InChI key: InChIKey=FVCYDMFGFDHYDW-UHFFFAOYSA-N

SMILES: C(CC(C)=O)(=O)N1CCCCCC1

Synonyms:

• 1,3-butanedione, 1-(hexahydro-1H-azepin-1-yl)-
• 1-(Hexahydro-1H-azepin-1-yl)-1,3-butanedione
• 1H-Azepine, 1-(1,3-dioxobutyl)hexahydro-
• NSC 74486
• 1-(Azepan-1-yl)butane-1,3-dione