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CHEBI:184304 - di-tert-butyl nitroxide

Default Structure
ChEBI IDCHEBI:184304
ChEBI Namedi-tert-butyl nitroxide
Stars
ASCII Namedi-tert-butyl nitroxide
DefinitionAn aminoxyl that is N-tert-butyl-2-methylpropan-2-amine carrying an oxidanediyl group at the nitrogen atom.
Last Modified23 November 2021
SubmitterJohannes Hunold (ORCID: 0000-0002-4378-6061)
DownloadsMolfile
FormulaC8H18NO
Net Charge0
Average Mass144.238
Monoisotopic Mass144.13884
SMILESCC(C)(C)N([O])C(C)(C)C
InChIInChI=1S/C8H18NO/c1-7(2,3)9(10)8(4,5)6/h1-6H3
InChIKeyCKJMHSMEPSUICM-UHFFFAOYSA-N
Roles Classification
Application:
spin label  A role played by a stable paramagnetic group that is attached to a part of a molecular entity whose microscopic environment is of interest and may be revealed by the electron spin resonance (ESR) spectroscopy.
ChEBI Ontology
Outgoing Relation(s)
di-tert-butyl nitroxide (CHEBI:184304) has role spin label (CHEBI:35210)
di-tert-butyl nitroxide (CHEBI:184304) is a aminoxyls (CHEBI:39477)
IUPAC Name 
(di-tert-butylamino)oxidanyl
Synonyms  Source
bis(1,1-dimethylethyl) nitroxideChEBI
bis(1,1-dimethylethyl)nitroxideChEBI
bis(tert-butyl) nitroxideChEBI
di-t-butyl nitroxideChemIDplus
(di-tert-butylamino)oxyChEBI
di(tert-butyl)aminyl oxideChemIDplus
Manual XrefsDatabases
453661ChemSpider
Registry NumbersSources
Reaxys:1901966Reaxys
CAS:2406-25-9ChemIDplus
CAS:2406-25-9NIST Chemistry WebBook
Citations