CAS 54714-50-0

Hexahydro-1H-azepine-1-acetonitrile

Description:

Hexahydro-1H-azepine-1-acetonitrile, with the CAS number 54714-50-0, is a cyclic amine compound characterized by a six-membered saturated ring containing nitrogen. This compound features an acetonitrile functional group, which contributes to its reactivity and potential applications in organic synthesis. Typically, hexahydro-1H-azepine derivatives exhibit moderate polarity due to the presence of the nitrogen atom, influencing their solubility in various solvents. The structure allows for potential interactions with biological systems, making it of interest in medicinal chemistry. Additionally, the compound may participate in nucleophilic reactions due to the nitrogen atom's lone pair, and its acetonitrile group can serve as a versatile building block in the synthesis of more complex molecules. Safety data should be consulted for handling, as with any chemical substance, to ensure proper precautions are taken. Overall, hexahydro-1H-azepine-1-acetonitrile is a valuable compound in the realm of organic chemistry and materials science.

Formula: C₈H₁₄N₂

InChI: InChI=1S/C8H14N2/c9-5-8-10-6-3-1-2-4-7-10/h1-4,6-8H2

InChI key: InChIKey=OHKGIEVCPHMZKY-UHFFFAOYSA-N

SMILES: C(C#N)N1CCCCCC1

Synonyms:

• (1-Azepanyl)acetonitrile
• 1-(Cyanomethyl)Azepanium
• 1-Azepanylacetonitrile
• 1H-azepine-1-acetonitrile, hexahydro-
• 2-(Azepan-1-yl)acetonitrile
• 259-302-8
• Azepan-1-Ylacetonitrile
• Hexamethyleneiminoacetonitrile
• NSC 74468
• Hexahydro-1H-azepine-1-acetonitrile

2-(Azepan-1-yl)acetonitrile

CAS: 54714-50-0

Formula: C₈H₁₄N₂

Molecular weight: 138.2102

Ref: IN-DA00DENP