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2-(Piperazin-1-yl)nicotinaldehyde

  • CAS No. 104842-73-1

  • Cat. No. CS-0509057
  • Molecule weight191.23
  • Purity≥98%
  • MDL No.None

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

2-(Piperazin-1-yl)nicotinaldehyde|CS-0509057

Structure of 104842-73-1

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General Information

  • CAS No. 104842-73-1
  • Cat. No. CS-0509057
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃N₃O
  • Molecular Weight 191.23
  • Synonym(s) 3-Pyridinecarboxaldehyde,2-(1-piperazinyl)-(9CI)
  • SMILES O=CC1=CC=CN=C1N2CCNCC2

Synthesis

  • Route1
    • 2-Piperazin-1-ylnicotinonitrile|CS-0070892
      84951-44-0
    • ~43%
    • 2-(Piperazin-1-yl)nicotinaldehyde|CS-0509057
      104842-73-1

    References

    • New, James S.; Yevich, Joseph P.; Temple, Davis L.; New, Kimberly B.; Gross, Sharon M.; et al. Journal of Medicinal Chemistry, 1988 , vol. 31, # 3 p. 618 - 624
  • Route2

    References

    • Bristol-Myers Company Patent: US4619930 A1, 1986 ; US 4619930 A Title/Abstract Full Text Show Details Bristol-Myers Company Patent: US4757073 A1, 1988 ; US 4757073 A
  • Route3
    • null|null
      179556-15-1
    • ~%
    • 2-(Piperazin-1-yl)nicotinaldehyde|CS-0509057
      104842-73-1

    References

    • Tran, Joe A.; Pontillo, Joseph; Fleck, Beth A.; Marinkovic, Dragan; Arellano, Melissa; Tucci, Fabio C.; Lanier, Marion; Saunders, John; Jiang, Wanlong; Chen, Caroline W.; Foster, Alan C.; Chen, Chen Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 14 p. 3693 - 3696

Safety Information

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

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Computational Chemistry Data

  • TPSA   45.23
  • LogP   0.3037
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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