chempirical

Di-tert-butyl nitroxide

C8H18NOCAS 2406-25-9144.24 g/mol

Open in Covalent MOL file
NO
Tertiary amine

Properties

Molecular formula
C8H18NO
Molar mass
144.24 g/mol
Exact mass
144.1388 Da
logP
2.23Crippen estimate
Polar surface area
23.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
2406-25-9
SMILES
CC(C)(C)N(C(C)(C)C)[O]
InChIKey
CKJMHSMEPSUICM-UHFFFAOYSA-N
InChI
InChI=1S/C8H18NO/c1-7(2,3)9(10)8(4,5)6/h1-6H3

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Names and synonyms

14 names · show all
  • Di-t-butyl nitroxide
  • Di-tert-butyl-nitroxyl
  • DTBN-spin
  • DTBN
  • Di(tert-butyl)aminyl oxide
  • (Di-tert-butylamino)oxidanyl
  • Bis(1,1-dimethylethyl)nitroxide
  • Di-tert-butyliminoxyl
  • Di-tert-butylnitroxyl
  • (Di-tert-butylamino)oxy
  • Bis(tert-butyl) nitroxide
  • N-Oxyl-di(tert-butyl)amine
  • Di-tert-butyl nitroxide radical
  • Bis(1,1-dimethylethyl) nitroxide

Reactions

Work with Di-tert-butyl nitroxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tempo2564-83-238 % similar Tempone2896-70-033 % similar 4-Amino-2,2,6,6-tetramethylpiperidine-1-oxyl14691-88-432 % similar 4-Hydroxy-TEMPO2226-96-232 % similar N-tert-Butylmaleimide4144-22-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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