CAS 1187929-45-8

1H-1,4-Diazepine, hexahydro-1-[(2-nitrophenyl)sulfonyl]-, hydrochloride (1:1)

Description:

1H-1,4-Diazepine, hexahydro-1-[(2-nitrophenyl)sulfonyl]-, hydrochloride (1:1) is a chemical compound characterized by its diazepine structure, which consists of a seven-membered ring containing two nitrogen atoms. This compound features a hexahydro configuration, indicating that it is fully saturated with hydrogen atoms. The presence of a 2-nitrophenyl group attached via a sulfonyl linkage contributes to its chemical reactivity and potential biological activity. As a hydrochloride salt, it is typically more soluble in water, enhancing its utility in various applications, including pharmaceuticals. The compound may exhibit properties such as antimicrobial or anti-inflammatory effects, although specific biological activities would depend on further empirical studies. Its CAS number, 1187929-45-8, allows for precise identification in chemical databases. Safety and handling precautions should be observed, as with many nitrogen-containing heterocycles, due to potential toxicity or reactivity. Overall, this compound represents a class of diazepines that may have significant implications in medicinal chemistry.

Formula: C₁₁H₁₅N₃O₄S·ClH

InChI: InChI=1S/C11H15N3O4S.ClH/c15-14(16)10-4-1-2-5-11(10)19(17,18)13-8-3-6-12-7-9-13;/h1-2,4-5,12H,3,6-9H2;1H

InChI key: InChIKey=CRXZVTKHDWBVMY-UHFFFAOYSA-N

SMILES: S(=O)(=O)(C1=C(N(=O)=O)C=CC=C1)N2CCCNCC2.Cl

Synonyms:

• 1H-1,4-Diazepine, hexahydro-1-[(2-nitrophenyl)sulfonyl]-, hydrochloride (1:1)