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CAS 13147-86-9

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Hexahydro-3-[(phenylmethyl)amino]-2H-azepin-2-one

Description:
Hexahydro-3-[(phenylmethyl)amino]-2H-azepin-2-one, with CAS number 13147-86-9, is a chemical compound characterized by its bicyclic structure, which includes a saturated azepine ring. This compound features a phenylmethylamino group, contributing to its potential biological activity. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. The presence of the amino group suggests that it can participate in hydrogen bonding, influencing its reactivity and interactions with other molecules. Hexahydro-3-[(phenylmethyl)amino]-2H-azepin-2-one may be of interest in medicinal chemistry due to its structural features, which could be relevant for drug development or as a pharmacophore in various therapeutic applications. Its properties, such as melting point, boiling point, and specific reactivity, would need to be determined through experimental methods for precise characterization. Overall, this compound represents a unique scaffold that could be explored for various chemical and biological applications.
Formula:C13H18N2O
InChI:InChI=1S/C13H18N2O/c16-13-12(8-4-5-9-14-13)15-10-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2,(H,14,16)
InChI key:InChIKey=JRGFAORRKSDLLX-UHFFFAOYSA-N
SMILES:N(CC1=CC=CC=C1)C2C(=O)NCCCC2
Synonyms:
  • Hexahydro-3-[(phenylmethyl)amino]-2H-azepin-2-one
  • 2H-Azepin-2-one, 3-(benzylamino)hexahydro-
  • 2H-Azepin-2-one, hexahydro-3-[(phenylmethyl)amino]-
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