CHEBI:180676 - 4-hydroxy-TEMPO benzoate

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ChEBI Name 4-hydroxy-TEMPO benzoate
ChEBI ID CHEBI:180676
Definition A member of the class of piperidines that is TEMPO carrying a benzoyloxy group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Johannes Hunold (ORCID: 0000-0002-4378-6061)
Supplier Information eMolecules:4368379, ZINC000004098511
Download Molfile XML SDF
Formula C16H22NO3
Net Charge 0
Average Mass 276.351
Monoisotopic Mass 276.15997
InChI InChI=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
InChIKey MJEDTBDGYVATPI-UHFFFAOYSA-N
SMILES CC1(C)CC(CC(C)(C)N1[O])OC(=O)C1=CC=CC=C1
Roles Classification
Chemical Role(s): radical scavenger
A role played by a substance that can react readily with, and thereby eliminate, radicals.
Application(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
2,2,6,6-tetramethyl-4-(benzoyloxy)piperidine-1-oxyl SUBMITTER
4-benzoyloxy-2,2,6,6-tetramethylpiperidine 1-oxyl ChEBI
4-benzoyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl SUBMITTER
4-benzoyloxy-2,2,6,6-tetramethylpiperidinyloxyl ChEBI
4-benzoyloxy-TEMPO SUBMITTER
4-hydroxy-2,2,6,6-tetramethylpiperidine 1-oxyl benzoate SUBMITTER
4-hydroxy-TEMPO benzoate free radical ChEBI
4-hydroxy-TEMPO-benzoate ChEBI
Manual Xref Database
2123762 ChemSpider
View more database links
Registry Numbers Types Sources
1431263 Reaxys Registry Number Reaxys
3225-26-1 CAS Registry Number SUBMITTER
Citations Types Sources
16853976 PubMed citation Europe PMC
18611421 PubMed citation Europe PMC
22775798 PubMed citation Europe PMC
28890491 PubMed citation Europe PMC
33930266 PubMed citation Europe PMC
Last Modified
18 November 2021