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CAS 869112-31-2

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1-Azoniabicyclo[2.2.2]octane, 4-(hydroxydiphenylmethyl)-1-(2-hydroxyethyl)-, bromide (1:1)

Description:
1-Azoniabicyclo[2.2.2]octane, 4-(hydroxydiphenylmethyl)-1-(2-hydroxyethyl)-, bromide (1:1), with CAS number 869112-31-2, is a quaternary ammonium compound characterized by its bicyclic structure and the presence of a positively charged nitrogen atom. This compound features a hydroxydiphenylmethyl group and a hydroxyethyl substituent, which contribute to its solubility and potential interactions in biological systems. The bromide ion serves as the counterion, balancing the positive charge of the azonium group. Typically, such compounds exhibit properties like high solubility in polar solvents, potential antimicrobial activity, and the ability to interact with biological membranes. The presence of hydroxyl groups suggests possible hydrogen bonding capabilities, which can influence its reactivity and stability. Additionally, the bicyclic structure may impart unique steric and electronic properties, making it of interest in various applications, including medicinal chemistry and materials science. Overall, this compound's characteristics make it a subject of interest for further research in both synthetic and applied chemistry contexts.
Formula:C22H28NO2·Br
InChI:InChI=1S/C22H28NO2.BrH/c24-18-17-23-14-11-21(12-15-23,13-16-23)22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20;/h1-10,24-25H,11-18H2;1H/q+1;/p-1
InChI key:InChIKey=ISRCFEMWSXVREU-UHFFFAOYSA-M
SMILES:C(O)(C12CC[N+](CCO)(CC1)CC2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
Synonyms:
  • 1-Azoniabicyclo[2.2.2]octane, 4-(hydroxydiphenylmethyl)-1-(2-hydroxyethyl)-, bromide
  • 1-Azoniabicyclo[2.2.2]octane, 4-(hydroxydiphenylmethyl)-1-(2-hydroxyethyl)-, bromide (1:1)
  • 4-(Hydroxydiphenylmethyl)-1-(2-hydroxyethyl)-1-azabicyclo[2.2.2]octanium bromide
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