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CS-W001157 4
Total: USD 88.00

3-Oxo-3,4-dihydropyrazine-2-carbonitrile

  • CAS No. 81411-78-1

  • Cat. No. CS-0377269
  • Purity≥98%
  • MDL No.None

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

3-Oxo-3,4-dihydropyrazine-2-carbonitrile|CS-0377269

Structure of 81411-78-1

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General Information

  • CAS No. 81411-78-1
  • Cat. No. CS-0377269
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃N₃O
  • Molecular Weight 121.10
  • Synonym(s) 3-Hydroxypyrazine-2-carbonitrile
  • SMILES N#CC1=NC=CNC1=O

Synthesis

  • Route1

    References

    • Kocevar, M.; Stanovnik, B.; Tisler, M. Journal of Heterocyclic Chemistry, 1982 , vol. 19, p. 1397 - 1402
  • Route2
    • (Z)-N'-hydroxy-3-oxo-3,4-dihydropyrazine-2-carboximidamide|CS-0591537
      81411-72-5
    • ~%
    • 3-Oxo-3,4-dihydropyrazine-2-carbonitrile|CS-0377269
      81411-78-1

    References

    • Kocevar, Marjan; Vercek, Bojan; Stanovnik, Branko; Tisler, Miha Monatshefte fuer Chemie, 1982 , vol. 113, p. 731 - 744
  • Route3
    • Isoxazolo[4,5-b]pyrazin-3-amine|CS-0018762
      81411-79-2
    • ~47%
    • 3-Oxo-3,4-dihydropyrazine-2-carbonitrile|CS-0377269
      81411-78-1

    References

    • Kocevar, Marjan; Vercek, Bojan; Stanovnik, Branko; Tisler, Miha Monatshefte fuer Chemie, 1982 , vol. 113, p. 731 - 744

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   69.54
  • LogP   -0.35842
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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