Product Name

  • Name

    2-oxo-3-aza-2-azoniabicyclo[2.2.2]octan-3-olate

  • EINECS
  • CAS No. 36479-80-8
  • Article Data2
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point
  • Formula C6H10N2O2
  • Boiling Point
  • Molecular Weight 142.158
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 36479-80-8 (2-oxo-3-aza-2-azoniabicyclo[2.2.2]octan-3-olate)
  • Hazard Symbols
  • Synonyms 2,3-Diazabicyclo[2.2.2]oct-2-ene-2,3-dioxide;
  • PSA
  • LogP

2,3-Diazabicyclo[2.2.2]oct-2-ene,2,3-dioxide Specification

The 2,3-Diazabicyclo[2.2.2]oct-2-ene,2,3-dioxide is an organic compound with the formula C6H10N2O2. With the CAS registry number 36479-80-8, the IUPAC name of this chemical is 2-oxido-2-aza-3-azoniabicyclo[2.2.2]octane 3-oxide.

Physical properties about 2,3-Diazabicyclo[2.2.2]oct-2-ene,2,3-dioxide are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 43.55 Å2.

Preparation: this chemical can be prepared by 2,3-diaza-bicyclo[2.2.2]oct-2-ene. This reaction will need reagent oxone and solvent H2O. The reaction time is 7 days by heating. The yield is about 35%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]N1[N+](=O)C2CCC1CC2
(2)InChI: InChI=1/C6H10N2O2/c9-7-5-1-2-6(4-3-5)8(7)10/h5-6H,1-4H2
(3)InChIKey: KQTDJBAPOKEJFF-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H10N2O2/c9-7-5-1-2-6(4-3-5)8(7)10/h5-6H,1-4H2
(5)Std. InChIKey: KQTDJBAPOKEJFF-UHFFFAOYSA-N

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