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CS-W001157 4
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9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile

  • CAS No. 189333-46-8

  • Cat. No. CS-0047455
  • Purity≥98%
  • MDL No.None

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

9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile|CS-0047455

Structure of 189333-46-8

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General Information

  • CAS No. 189333-46-8
  • Cat. No. CS-0047455
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₈N₄O₂
  • Molecular Weight 322.36
  • Synonym(s) 9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile(WX102687)
  • SMILES N#CC1C2(C(C(NC1=O)=O)C#N)CCN(CC2)CC3=CC=CC=C3

Synthesis

  • Route1
    • null|null
      3612-20-2
    • null|null
      105-56-6
    • ~89%
    • In-stock
      9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile|CS-0047455
      189333-46-8

    References

    • NEUROGEN CORPORATION; XU, Yuelian; XIE, Linghong; HAN, Bingsong; MAYNARD, George D.; CHENARD, Bertrand, L.; STAAB, Andrew J. Patent: WO2009/97405 A2, 2009 ; Location in patent: Page/Page column 16; 17 ;

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   96.99
  • LogP   1.20476
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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