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CS-W001157 4
Total: USD 88.00

3-(5-Amino-1,3,4-oxadiazol-2-yl)benzonitrile

  • CAS No. 1016521-87-1

  • Cat. No. CS-0076684
  • Purity≥97%
  • MDL No.MFCD09804065

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

3-(5-Amino-1,3,4-oxadiazol-2-yl)benzonitrile|CS-0076684

Structure of 1016521-87-1

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General Information

  • CAS No. 1016521-87-1
  • Cat. No. CS-0076684
  • Purity ≥97%
  • MDL No. MFCD09804065
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₄O
  • Molecular Weight 186.17
  • Synonym(s) None
  • SMILES N#CC1=CC=CC(C2=NN=C(N)O2)=C1

Synthesis

  • Route1

    References

    • Zender, Michael; Klein, Tobias; Henn, Claudia; Kirsch, Benjamin; Maurer, Christine K.; Kail, Dagmar; Ritter, Christiane; Dolezal, Olan; Steinbach, Anke; Hartmann, Rolf W. Journal of Medicinal Chemistry, 2013 , vol. 56, # 17 p. 6761 - 6774
  • Route2

    References

    • Zender, Michael; Klein, Tobias; Henn, Claudia; Kirsch, Benjamin; Maurer, Christine K.; Kail, Dagmar; Ritter, Christiane; Dolezal, Olan; Steinbach, Anke; Hartmann, Rolf W. Journal of Medicinal Chemistry, 2013 , vol. 56, # 17 p. 6761 - 6774
  • Route3
    • null|null
      1450828-14-4
    • ~19%
    • 3-(5-Amino-1,3,4-oxadiazol-2-yl)benzonitrile|CS-0076684
      1016521-87-1

    References

    • Zender, Michael; Klein, Tobias; Henn, Claudia; Kirsch, Benjamin; Maurer, Christine K.; Kail, Dagmar; Ritter, Christiane; Dolezal, Olan; Steinbach, Anke; Hartmann, Rolf W. Journal of Medicinal Chemistry, 2013 , vol. 56, # 17 p. 6761 - 6774

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   88.73
  • LogP   1.19048
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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