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CS-W001157 4
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1-Benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

  • CAS No. 57712-62-6

  • Cat. No. CS-0326943
  • Purity95+%
  • MDL No.None

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

1-Benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|CS-0326943

Structure of 57712-62-6

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General Information

  • CAS No. 57712-62-6
  • Cat. No. CS-0326943
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉N₃O₂
  • Molecular Weight 227.22
  • Synonym(s) 1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
  • SMILES N#CC=1C(NC(=O)N(C1)CC2=CC=CC=C2)=O

Synthesis

  • Route1
    • null|null
      100-46-9
    • Ethyl (2-cyano-3-ethoxyacryloyl)carbamate|CS-0456903
      1187-34-4
    • ~%
    • 1-Benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|CS-0326943
      57712-62-6

    References

    • Journal of the Chemical Society, , p. 4118,4120

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   78.65
  • LogP   0.45658
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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