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CAS 552868-13-0

:

Hexahydro-1-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,4-diazepine

Description:
Hexahydro-1-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,4-diazepine, identified by its CAS number 552868-13-0, is a chemical compound characterized by its unique structure, which includes a diazepine ring fused with a hexahydro framework. This compound features a trifluoromethyl group attached to a phenyl ring, contributing to its distinct electronic properties and potential reactivity. The presence of the trifluoromethyl group often enhances lipophilicity and can influence the compound's biological activity, making it of interest in pharmaceutical research. The diazepine moiety is known for its role in various biological activities, including anxiolytic and sedative effects. Additionally, the compound's structural features may allow for interactions with specific biological targets, making it a candidate for further investigation in medicinal chemistry. Its physical properties, such as solubility and stability, would depend on the specific conditions and solvents used. Overall, this compound represents a class of substances that may have significant implications in drug development and therapeutic applications.
Formula:C13H17F3N2
InChI:InChI=1S/C13H17F3N2/c14-13(15,16)12-4-1-3-11(9-12)10-18-7-2-5-17-6-8-18/h1,3-4,9,17H,2,5-8,10H2
InChI key:InChIKey=HZKKJRGALXURLA-UHFFFAOYSA-N
SMILES:C(C1=CC(C(F)(F)F)=CC=C1)N2CCCNCC2
Synonyms:
  • 1-(3-Trifluoromethylbenzyl)-[1,4]diazepane
  • 1H-1,4-Diazepine, hexahydro-1-[[3-(trifluoromethyl)phenyl]methyl]-
  • 1-[[3-(Trifluoromethyl)phenyl]methyl]-1,4-diazepane
  • Hexahydro-1-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,4-diazepine
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