CAS 1135283-09-8

(Hexahydro-1H-1,2-diazepin-1-yl)(4-nitrophenyl)methanone

Description:

The chemical substance known as (Hexahydro-1H-1,2-diazepin-1-yl)(4-nitrophenyl)methanone, with the CAS number 1135283-09-8, is a compound that features a hexahydro-1H-1,2-diazepine moiety linked to a 4-nitrophenyl group through a carbonyl functional group. This structure suggests that it possesses both cyclic and aromatic characteristics, which can influence its reactivity and interactions. The presence of the nitro group indicates potential for electrophilic behavior, while the diazepine ring may contribute to its biological activity and stability. The compound is likely to exhibit moderate solubility in organic solvents, and its properties may be influenced by the steric and electronic effects of the substituents. Additionally, due to the presence of both nitrogen and oxygen atoms, it may participate in hydrogen bonding, affecting its physical properties such as boiling and melting points. Overall, this compound may have applications in medicinal chemistry or material science, depending on its specific reactivity and biological activity.

Formula: C₁₂H₁₅N₃O₃

InChI: InChI=1S/C12H15N3O3/c16-12(14-9-3-1-2-8-13-14)10-4-6-11(7-5-10)15(17)18/h4-7,13H,1-3,8-9H2

InChI key: InChIKey=VOJPVCYTWXJKJB-UHFFFAOYSA-N

SMILES: C(=O)(C1=CC=C(N(=O)=O)C=C1)N2CCCCCN2

Synonyms:

• Methanone, (hexahydro-1H-1,2-diazepin-1-yl)(4-nitrophenyl)-
• (Hexahydro-1H-1,2-diazepin-1-yl)(4-nitrophenyl)methanone