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CS-W001157 4
Total: USD 88.00

N-(4-methylpyridin-2-yl)-3-oxobutanamide

  • CAS No. 16867-45-1

  • Cat. No. CS-0328560
  • Molecule weight192.21
  • Purity≥98%
  • MDL No.None

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

N-(4-methylpyridin-2-yl)-3-oxobutanamide|CS-0328560

Structure of 16867-45-1

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General Information

  • CAS No. 16867-45-1
  • Cat. No. CS-0328560
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O₂
  • Molecular Weight 192.21
  • Synonym(s) N-(4-Methyl-2-pyridyl)acetoacetamide
  • SMILES CC1=CC(NC(CC(C)=O)=O)=NC=C1

Synthesis

  • Route1

    References

    • CYTOKINETICS, INC. Patent: WO2006/47537 A1, 2006 ; Location in patent: Page/Page column 33 ;
  • Route2

    References

    • Zupet; Tisler; Golic Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 7 p. 1731 - 1740
  • Route3

    References

    • Allen; Van Allan Journal of Organic Chemistry, 1948 , vol. 13, p. 603,605

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   59.06
  • LogP   1.30762
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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