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CAS 1414860-36-8

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3-Oxa-6-azabicyclo[3.1.1]heptane, 4-methylbenzenesulfonate (1:1)

Description:
3-Oxa-6-azabicyclo[3.1.1]heptane, 4-methylbenzenesulfonate (1:1) is a chemical compound characterized by its bicyclic structure, which includes both oxygen and nitrogen atoms in its framework. The compound features a bicyclic system that is fused and contains a five-membered ring with an oxygen atom and a nitrogen atom, contributing to its unique reactivity and potential biological activity. The sulfonate group, derived from 4-methylbenzenesulfonic acid, enhances the solubility of the compound in polar solvents and may influence its pharmacokinetic properties. This compound is of interest in medicinal chemistry due to its structural features that may interact with biological targets. Its molecular interactions can be influenced by the presence of the sulfonate moiety, which can affect binding affinity and selectivity. Overall, the compound's characteristics suggest potential applications in drug development, particularly in areas requiring compounds with specific structural and functional properties. Further studies would be necessary to elucidate its full biological profile and potential therapeutic uses.
Formula:C7H8O3S·C5H9NO
InChI:InChI=1S/C7H8O3S.C5H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-4-2-7-3-5(1)6-4/h2-5H,1H3,(H,8,9,10);4-6H,1-3H2
InChI key:InChIKey=LNDVYWDVZUQJSB-UHFFFAOYSA-N
SMILES:C12CC(N1)COC2.S(=O)(=O)(O)C1=CC=C(C)C=C1
Synonyms:
  • 3-Oxa-6-azabicyclo[3.1.1]heptane 4-methylbenzenesulfonate
  • 3-Oxa-6-azabicyclo[3.1.1]heptane, 4-methylbenzenesulfonate (1:1)
  • 3-Oxa-6-azabicyclo[3.1.1]heptane; 4-methylbenzene-1-sulfonic acid
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