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CAS 145757-47-7

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2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide

Description:
2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide, commonly referred to as a nitroxide radical, is a stable free radical characterized by its unique imidazoline structure. This compound features a carboxylic acid functional group, which enhances its solubility in polar solvents and allows for potential interactions with biological systems. The presence of the tetramethyl substituents contributes to the stability of the radical, making it less reactive compared to other free radicals. Its radical nature is significant in various applications, including as a spin label in electron paramagnetic resonance (EPR) spectroscopy, where it can be used to study molecular dynamics and interactions. Additionally, this compound may exhibit antioxidant properties, which can be beneficial in biological and chemical systems. The CAS number 145757-47-7 uniquely identifies this substance, facilitating its recognition in scientific literature and databases. Overall, its distinctive structural features and properties make it a valuable compound in both research and industrial applications.
Formula:C14H17N2O4
InChI:InChI=1/C14H17N2O4/c1-13(2)14(3,4)16(20)11(15(13)19)9-5-7-10(8-6-9)12(17)18/h5-8H,1-4H3,(H,17,18)
InChI key:InChIKey=KWNDLWPKCDMGTN-UHFFFAOYSA-N
SMILES:CC1(C)C(C)(C)N(C(=N1=O)c1ccc(cc1)C(=O)O)O
Synonyms:
  • 1,3-Dihydroxy-4,4,5,5-Tetramethyl-2-(4-Carboxyphenyl)Tetrahydroimidazole
  • 1H-Imidazol-1-yloxy, 2-(4-carboxyphenyl)-4,5-dihydro-4,4,5,5-tetramethyl-, 3-oxide
  • 2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl
  • Carboxy-PTIO
  • [2-(4-carboxyphenyl)-4,4,5,5-tetramethyl-3-oxido-4,5-dihydro-1H-imidazol-1-yl]oxidanyl
  • 2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide.
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