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CS-W001157 4
Total: USD 88.00

2-(Piperidin-4-yl)nicotinonitrile

  • CAS No. 630116-81-3

  • Cat. No. CS-0071564
  • Purity≥97%
  • MDL No.MFCD13191887

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

2-(Piperidin-4-yl)nicotinonitrile|CS-0071564

Structure of 630116-81-3

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General Information

  • CAS No. 630116-81-3
  • Cat. No. CS-0071564
  • Purity ≥97%
  • MDL No. MFCD13191887
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃N₃
  • Molecular Weight 187.24
  • Synonym(s) 2-piperidin-4-ylpyridine-3-carbonitrile
  • SMILES N#CC1=CC=CN=C1C2CCNCC2

Synthesis

  • Route1
    • null|null
      630116-80-2
    • ~%
    • 2-(Piperidin-4-yl)nicotinonitrile|CS-0071564
      630116-81-3

    References

    • Patel, Meena V.; Kolasa, Teodozyj; Mortell, Kathleen; Matulenko, Mark A.; Hakeem, Ahmed A.; Rohde, Jeffrey J.; Nelson, Sherry L.; Cowart, Marlon D.; Nakane, Masaki; Miller, Loan N.; Uchic, Marie E.; Terranova, Marc A.; El-Kouhen, Odile F.; Donnelly-Roberts, Diana L.; Namovic, Marian T.; Hollingsworth, Peter R.; Chang, Renjie; Martino, Brenda R.; Wetter, Jill M.; Marsh, Kennan C.; Martin, Ruth; Darbyshire, John F.; Gintant, Gary; Hsieh, Gin C.; Moreland, Robert B.; Sullivan, James P.; Brioni, Jorge D.; Stewart, Andrew O. Journal of Medicinal Chemistry, 2006 , vol. 49, # 25 p. 7450 - 7465
  • Route2
    • 3-Pyridinecarbonitrile, 2-chloro-|CS-0654103
      6602-54-6
    • ~%
    • 2-(Piperidin-4-yl)nicotinonitrile|CS-0071564
      630116-81-3

    References

    • Patel, Meena V.; Kolasa, Teodozyj; Mortell, Kathleen; Matulenko, Mark A.; Hakeem, Ahmed A.; Rohde, Jeffrey J.; Nelson, Sherry L.; Cowart, Marlon D.; Nakane, Masaki; Miller, Loan N.; Uchic, Marie E.; Terranova, Marc A.; El-Kouhen, Odile F.; Donnelly-Roberts, Diana L.; Namovic, Marian T.; Hollingsworth, Peter R.; Chang, Renjie; Martino, Brenda R.; Wetter, Jill M.; Marsh, Kennan C.; Martin, Ruth; Darbyshire, John F.; Gintant, Gary; Hsieh, Gin C.; Moreland, Robert B.; Sullivan, James P.; Brioni, Jorge D.; Stewart, Andrew O. Journal of Medicinal Chemistry, 2006 , vol. 49, # 25 p. 7450 - 7465
  • Route3
    • null|null
      19099-93-5
    • ~%
    • 2-(Piperidin-4-yl)nicotinonitrile|CS-0071564
      630116-81-3

    References

    • Patel, Meena V.; Kolasa, Teodozyj; Mortell, Kathleen; Matulenko, Mark A.; Hakeem, Ahmed A.; Rohde, Jeffrey J.; Nelson, Sherry L.; Cowart, Marlon D.; Nakane, Masaki; Miller, Loan N.; Uchic, Marie E.; Terranova, Marc A.; El-Kouhen, Odile F.; Donnelly-Roberts, Diana L.; Namovic, Marian T.; Hollingsworth, Peter R.; Chang, Renjie; Martino, Brenda R.; Wetter, Jill M.; Marsh, Kennan C.; Martin, Ruth; Darbyshire, John F.; Gintant, Gary; Hsieh, Gin C.; Moreland, Robert B.; Sullivan, James P.; Brioni, Jorge D.; Stewart, Andrew O. Journal of Medicinal Chemistry, 2006 , vol. 49, # 25 p. 7450 - 7465

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   48.71
  • LogP   1.42028
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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