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CHEBI:180676 - 4-hydroxy-TEMPO benzoate

ChEBI IDCHEBI:180676
ChEBI Name4-hydroxy-TEMPO benzoate
Stars
DefinitionA member of the class of piperidines that is TEMPO carrying a benzoyloxy group at position 4.
Last Modified18 November 2021
SubmitterJohannes Hunold (ORCID: 0000-0002-4378-6061)
DownloadsMolfile
FormulaC16H22NO3
Net Charge0
Average Mass276.356
Monoisotopic Mass276.15997
SMILESCC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1[O]
InChIInChI=1S/C16H22NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3
InChIKeyMJEDTBDGYVATPI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Application:
spin probe  A role played by a stable paramagnetic molecular entity used to study the microscopic environment by electron paramagnetic resonance (EPR) spectroscopy without covalent attachment to the molecular entity of interest.
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-TEMPO benzoate (CHEBI:180676) has functional parent 4-hydroxy-TEMPO (CHEBI:180664)
4-hydroxy-TEMPO benzoate (CHEBI:180676) has role radical scavenger (CHEBI:48578)
4-hydroxy-TEMPO benzoate (CHEBI:180676) has role spin probe (CHEBI:35226)
4-hydroxy-TEMPO benzoate (CHEBI:180676) is a aminoxyls (CHEBI:39477)
4-hydroxy-TEMPO benzoate (CHEBI:180676) is a benzoate ester (CHEBI:36054)
4-hydroxy-TEMPO benzoate (CHEBI:180676) is a piperidines (CHEBI:26151)
IUPAC Name 
[4-(benzoyloxy)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanyl
Synonyms  Source
4-benzoyloxy-TEMPOSUBMITTER
4-benzoyloxy-2,2,6,6-tetramethylpiperidine-1-oxylSUBMITTER
4-hydroxy-2,2,6,6-tetramethylpiperidine 1-oxyl benzoateSUBMITTER
2,2,6,6-tetramethyl-4-(benzoyloxy)piperidine-1-oxylSUBMITTER
4-benzoyloxy-2,2,6,6-tetramethylpiperidinyloxylChEBI
4-hydroxy-TEMPO benzoate free radicalChEBI
Manual XrefsDatabases
2123762ChemSpider
Registry NumbersSources
Reaxys:1431263Reaxys
CAS:3225-26-1SUBMITTER
Citations