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CAS 1221722-15-1

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1-(1,1-Dimethylethyl)hexahydro-1H-1,4-diazepine

Description:
1-(1,1-Dimethylethyl)hexahydro-1H-1,4-diazepine is a chemical compound characterized by its unique structure, which includes a hexahydro-1H-1,4-diazepine ring system. This compound features a tert-butyl group (1,1-dimethylethyl) attached to the nitrogen atom of the diazepine ring, influencing its steric and electronic properties. The presence of the saturated diazepine ring contributes to its potential as a ligand in coordination chemistry and its utility in medicinal chemistry, particularly in the development of pharmaceuticals. The compound is likely to exhibit moderate polarity due to the presence of nitrogen atoms, which can engage in hydrogen bonding. Its physical properties, such as boiling point and solubility, would be influenced by the bulky tert-butyl group, which may enhance lipophilicity. Additionally, the compound's stability and reactivity can be affected by the saturation of the ring and the steric hindrance provided by the tert-butyl substituent. Overall, this compound's characteristics make it of interest in various chemical and pharmaceutical applications.
Formula:C9H20N2
InChI:InChI=1S/C9H20N2/c1-9(2,3)11-7-4-5-10-6-8-11/h10H,4-8H2,1-3H3
InChI key:InChIKey=NFTNAOZWHAOMPK-UHFFFAOYSA-N
SMILES:C(C)(C)(C)N1CCCNCC1
Synonyms:
  • 1-tert-Butyl-1,4-diazepane
  • 1H-1,4-Diazepine, 1-(1,1-dimethylethyl)hexahydro-
  • 1-(1,1-Dimethylethyl)hexahydro-1H-1,4-diazepine
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