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CAS 6113-04-8

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Ethanaminium, 2-[(2,2-diphenylacetyl)oxy]-N,N-diethyl-N-methyl-, bromide (1:1)

Description:
Ethanaminium, 2-[(2,2-diphenylacetyl)oxy]-N,N-diethyl-N-methyl-, bromide (1:1), commonly referred to by its CAS number 6113-04-8, is a quaternary ammonium compound characterized by its cationic nature due to the presence of a positively charged nitrogen atom. This compound features a diethyl and a methyl group attached to the nitrogen, contributing to its lipophilicity and potential biological activity. The presence of the 2,2-diphenylacetyl group indicates that it may exhibit significant steric hindrance, which can influence its reactivity and interaction with biological systems. As a bromide salt, it is typically soluble in polar solvents, which enhances its utility in various applications, including pharmaceuticals and as a surfactant. The compound's structure suggests potential uses in drug delivery systems or as an antimicrobial agent, although specific biological activities would depend on further empirical studies. Overall, its unique structural features and ionic nature make it a compound of interest in both synthetic and medicinal chemistry.
Formula:C21H28NO2·Br
InChI:InChI=1S/C21H28NO2.BrH/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
InChI key:InChIKey=WMUOPJLADBOCIX-UHFFFAOYSA-M
SMILES:C(C(OCC[N+](CC)(CC)C)=O)(C1=CC=CC=C1)C2=CC=CC=C2.[Br-]
Synonyms:
  • Diethyl(2-hydroxyethyl)methylammonium bromide, diphenylacetate
  • Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, diphenylacetate
  • Ethanaminium, 2-[(2,2-diphenylacetyl)oxy]-N,N-diethyl-N-methyl-, bromide (1:1)
  • Acetic acid, diphenyl-, ester with diethyl(2-hydroxyethyl)methylammonium bromide
  • Ethanaminium, 2-[(diphenylacetyl)oxy]-N,N-diethyl-N-methyl-, bromide
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