117951-19-6

Basic information

• Product Name: C₁₁⁽¹³⁾CH₁₈NO₂
• CAS NO: 117951-19-6
• Molecular Weight: 209.269
• Mol File: 117951-19-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₁⁽¹³⁾CH₁₈NO₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₁⁽¹³⁾CH₁₈NO₂(117951-19-6)
• EPA Substance Registry System: C₁₁⁽¹³⁾CH₁₈NO₂(117951-19-6)

Safety Data

• Hazardous Substances Data: 117951-19-6(Hazardous Substances Data)

Upstream product

• 14742-26-8 [¹³C]methanol 
• 3376-24-7 (Z)-N-benzylidene-2-methylpropan-2-amine oxide 

Relevant articles and documents

An EPR/ENDOR study of aminoxyls (nitroxides) capable of intramolecular bonding: hydroxyalkyl radical spin adducts of nitrones

A comparison of the effect of solvent and 13C labeling (of the radical addend) on the EPR (electron paramagnetic resonance) spectra of hydroxyalkyl vs. alkyl radical adducts of α-phenyl-N-tert-butyl nitrone (PBN) and 5,5-dimethyl-1-pyrroline-1-oxide (DMPO) has been investigated.The solution ENDOR spectra in toluene and in ethanol are the first examples studied of aminoxyls with hydroxyl substituents in close proximity to the free radical centre.Diastereometric mixtures of hydroxyalkyl radical adducts are clearly resolved by ENDOR spectroscopy.Conformations of these radicals have been assigned based on the 1H and 13C hyperfine splittings (HFS's) and by differential optimum ENDOR temperatures.Definitive assignements of carbon-centered radical adducts of DMPO and PBN are shown to be feasible by monitoring the β-13C HFS's of the radical addend.Long-range γ-H HFS's from the added radical group can be observed when the deuterated spin trap PBN-d14 is used.The production of 13C labeled hydroxyalkyl adducts of nitrones (e.g., DMPO-13CH2OH, from the reaction of hydroxyl radicals with added 13CH3OH) is shown to be useful as an improved EPR spectroscopic method for the verification of the presence of hydroxyl radicals.