CAS 1258651-07-8

1H-1,4-Diazepine, hexahydro-1-(2-propyn-1-yl)-, hydrochloride (1:2)

Description:

1H-1,4-Diazepine, hexahydro-1-(2-propyn-1-yl)-, hydrochloride (1:2) 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, and a propynyl substituent that contributes to its unique properties. The hydrochloride salt form suggests that it is a stable, water-soluble compound, often used in pharmaceutical applications. The presence of the hydrochloride indicates that it can form ionic bonds, enhancing its solubility in polar solvents. This compound may exhibit biological activity, potentially influencing neurotransmitter systems or other physiological pathways, making it of interest in medicinal chemistry. Its specific interactions and effects would depend on its molecular conformation and the presence of functional groups. As with many nitrogen-containing heterocycles, it may also participate in various chemical reactions, including nucleophilic substitutions and cyclizations, which are relevant in synthetic organic chemistry.

Formula: C₈H₁₄N₂·2ClH

InChI: InChI=1S/C8H14N2.2ClH/c1-2-6-10-7-3-4-9-5-8-10;;/h1,9H,3-8H2;2*1H

InChI key: InChIKey=SAQQBKRPTRDBGL-UHFFFAOYSA-N

SMILES: C(C#C)N1CCCNCC1.Cl

Synonyms:

• 1H-1,4-Diazepine, hexahydro-1-(2-propyn-1-yl)-, hydrochloride (1:2)

1-(Prop-2-yn-1-yl)-1,4-diazepane dihydrochloride

CAS: 1258651-07-8

Versatile small molecule scaffold

Formula: C₈H₁₆Cl₂N₂

Purity: Min. 95%

Molecular weight: 211.13 g/mol

Ref: 3D-IAC65107