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CAS 1423025-08-4

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1,1-Dimethylethyl hexahydro-2-(2-oxopropyl)-1H-azepine-1-carboxylate

Description:
1,1-Dimethylethyl hexahydro-2-(2-oxopropyl)-1H-azepine-1-carboxylate, identified by its CAS number 1423025-08-4, is a chemical compound that features a complex structure characterized by a hexahydroazepine ring. This compound includes a carboxylate functional group, which contributes to its potential reactivity and solubility properties. The presence of the dimethyl group indicates steric hindrance, which may influence its interactions with other molecules. The oxopropyl substituent suggests potential for further chemical transformations, making it of interest in synthetic organic chemistry. Its molecular structure may impart specific physical properties such as boiling and melting points, as well as solubility in various solvents. Additionally, the compound may exhibit biological activity, which could be explored in pharmacological contexts. However, detailed studies would be necessary to fully understand its characteristics, including stability, reactivity, and potential applications in various fields such as medicinal chemistry or materials science.
Formula:C14H25NO3
InChI:InChI=1S/C14H25NO3/c1-11(16)10-12-8-6-5-7-9-15(12)13(17)18-14(2,3)4/h12H,5-10H2,1-4H3
InChI key:InChIKey=NLHIPSZYECZQEE-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C(CC(C)=O)CCCCC1
Synonyms:
  • 1,1-Dimethylethyl hexahydro-2-(2-oxopropyl)-1H-azepine-1-carboxylate
  • 1H-Azepine-1-carboxylic acid, hexahydro-2-(2-oxopropyl)-, 1,1-dimethylethyl ester
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