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CS-W001157 4
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3,7-Diazabicyclo[3.3.1]Nonane-2,4,6,8-tetraone

  • CAS No. 4889-98-9

  • Cat. No. CS-0580908
  • Molecule weight182.13
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3,7-Diazabicyclo[3.3.1]Nonane-2,4,6,8-tetraone|CS-0580908

Structure of 4889-98-9

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General Information

  • CAS No. 4889-98-9
  • Cat. No. CS-0580908
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O₄
  • Molecular Weight 182.13
  • Synonym(s) 3,7-Methanooctahydro-1,5-diazocine-2,4,6,8-tetraone
  • SMILES C1C2C(=O)NC(=O)C1C(=O)NC2=O

Synthesis

  • Route1
    • null|null
      10550-79-5
    • ~33%
    • 3,7-Diazabicyclo[3.3.1]Nonane-2,4,6,8-tetraone|CS-0580908
      4889-98-9

    References

    • Norcross, Neil R.; Melbardis, John P.; Solera, Margarita Ferris; Sephton, Mark A.; Kilner, Colin; Zakharov, Lev N.; Astles, Peter C.; Warriner, Stuart L.; Blakemore, Paul R. Journal of Organic Chemistry, 2008 , vol. 73, # 20 p. 7939 - 7951

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   92.34
  • LogP   -2.0783
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   0

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