chempirical

N-tert-Butyl-α-phenylnitrone

C11H15NOCAS 3376-24-7177.25 g/mol

Open in Covalent MOL file
N+O−

Properties

Molecular formula
C11H15NO
Molar mass
177.25 g/mol
Exact mass
177.1154 Da
Melting point
76 °C
logP
2.41Crippen estimate
Polar surface area
26.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3376-24-7
SMILES
CC(C)(C)[N+]([O-])=Cc1ccccc1
InChIKey
IYSYLWYGCWTJSG-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3

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Names and synonyms

15 names · show all
  • 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide
  • Nitrone, N-tert-butyl-α-phenyl-
  • 2-Phenyl-N-tert-butylnitrone
  • α-Phenyl-N-tert-butylnitrone
  • C-Phenyl-N-tert-butylnitrone
  • Benzylidene-tert-butylamine N-oxide
  • N-Benzylidene-tert-butylamine oxide
  • PBN
  • N-tert-Butyl-2-phenylnitrone
  • N-Benzylidene-tert-butylamine N-oxide
  • N-tert-Butyl-C-phenylnitrone
  • tert-Butyl(benzylidene)amine N-oxide
  • PBN (amine oxide)
  • Benzylidene-tert-butylamine oxide
  • 2-Methyl-N-(phenylmethylene)-2-propanamine N-oxide

Work with N-tert-Butyl-α-phenylnitrone

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

4,4-Dimethyl-1-phenyl-1-penten-3-one538-44-335 % similar Phenyl-2-nitropropene705-60-235 % similar β-Nitrostyrene102-96-534 % similar (E)-Stilbene103-30-033 % similar β-Methylstyrene637-50-333 % similar (Z)-Stilbene645-49-833 % similar cis-Beta-methylstyrene766-90-533 % similar trans-Propenylbenzene873-66-533 % similar

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

Same formula

(3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-4 (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-8 2-(3-Methoxyphenyl)pyrrolidine103861-77-4 4-N-Butylbenzamide107377-07-1 4-(Diethylamino)benzaldehyde120-21-8 N,N-Diethylbenzamide1696-17-9 1-Propanol,2-methyl-2-[(phenylmethylene)amino]-22563-90-2 4-Phenoxypiperidine3202-33-3

Elsewhere

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