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CAS 1208-76-0

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4H-Azepin-4-one, hexahydro-1-(phenylmethyl)-, hydrochloride (1:1)

Description:
4H-Azepin-4-one, hexahydro-1-(phenylmethyl)-, hydrochloride (1:1), with the CAS number 1208-76-0, is a chemical compound characterized by its cyclic structure, specifically a saturated seven-membered ring containing a nitrogen atom. This compound features a phenylmethyl group, which contributes to its aromatic properties and potential interactions in biological systems. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its utility in pharmaceutical applications. The presence of the hydrochloride indicates that it can form stable ionic interactions, which may influence its pharmacokinetics and bioavailability. The compound may exhibit various biological activities, making it of interest in medicinal chemistry. Its structural characteristics suggest potential applications in the development of therapeutic agents, particularly in areas related to central nervous system activity. However, specific properties such as melting point, boiling point, and reactivity would require empirical data for precise characterization.
Formula:C13H17NO·ClH
InChI:InChI=1S/C13H17NO.ClH/c15-13-7-4-9-14(10-8-13)11-12-5-2-1-3-6-12;/h1-3,5-6H,4,7-11H2;1H
InChI key:InChIKey=TVIICJDDSIMWQT-UHFFFAOYSA-N
SMILES:C(N1CCC(=O)CCC1)C2=CC=CC=C2.Cl
Synonyms:
  • 1-Benzyl-azepan-4-one hydrochloride
  • 4H-Azepin-4-one, hexahydro-1-(phenylmethyl)-, hydrochloride (1:1)
  • 4H-Azepin-4-one, hexahydro-1-(phenylmethyl)-, hydrochloride
  • N-Benzylhexahydroazepin-4-one hydrochloride
  • 4H-Azepin-4-one, 1-benzylhexahydro-, hydrochloride
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