CAS 1016703-63-1

Hexahydro-1-[(3-nitrophenyl)methyl]-1H-1,4-diazepine

Description:

Hexahydro-1-[(3-nitrophenyl)methyl]-1H-1,4-diazepine is a chemical compound characterized by its unique structure, which includes a diazepine ring fused with a hexahydro framework and a nitrophenyl substituent. The presence of the nitrophenyl group introduces significant polarity and potential reactivity, making it of interest in various chemical applications. This compound typically exhibits properties associated with nitrogen-containing heterocycles, such as moderate solubility in organic solvents and potential biological activity. Its molecular structure suggests it may participate in hydrogen bonding due to the nitrogen atoms in the diazepine ring, influencing its interaction with other molecules. Additionally, the nitro group can serve as a site for further chemical modifications, enhancing its utility in synthetic chemistry. Overall, Hexahydro-1-[(3-nitrophenyl)methyl]-1H-1,4-diazepine represents a versatile compound with potential applications in pharmaceuticals and materials science, although specific reactivity and stability would depend on the surrounding conditions and functional groups present.

Formula: C₁₂H₁₇N₃O₂

InChI: InChI=1S/C12H17N3O2/c16-15(17)12-4-1-3-11(9-12)10-14-7-2-5-13-6-8-14/h1,3-4,9,13H,2,5-8,10H2

InChI key: InChIKey=VJYWDSCMVHVXQZ-UHFFFAOYSA-N

SMILES: C(C1=CC(N(=O)=O)=CC=C1)N2CCCNCC2

Synonyms:

• 1H-1,4-Diazepine, hexahydro-1-[(3-nitrophenyl)methyl]-
• Hexahydro-1-[(3-nitrophenyl)methyl]-1H-1,4-diazepine