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CS-W001157 4
Total: USD 88.00

3-(Piperidin-4-yl)benzonitrile

  • CAS No. 370864-72-5

  • Cat. No. CS-0171114
  • Molecule weight186.25
  • Purity≥98%
  • MDL No.None

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

3-(Piperidin-4-yl)benzonitrile|CS-0171114

Structure of 370864-72-5

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General Information

  • CAS No. 370864-72-5
  • Cat. No. CS-0171114
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂
  • Molecular Weight 186.25
  • Synonym(s) 3-Piperidin-4-ylbenzonitrile
  • SMILES C1=CC(=CC(=C1)C2CCNCC2)C#N

Synthesis

  • Route1
    • tert-Butyl 4-(3-cyanophenyl)piperidine-1-carboxylate|CS-0664022
      370864-73-6
    • ~%
    • 3-(Piperidin-4-yl)benzonitrile|CS-0171114
      370864-72-5

    References

    • Goble, Stephen D.; Mills, Sander G.; Yang, Lihu; Pasternak, Alexander Patent: US2007/238723 A1, 2007 ; Location in patent: Page/Page column 41 ; US 20070238723 A1
  • Route2
    • null|null
      19099-93-5
    • ~%
    • 3-(Piperidin-4-yl)benzonitrile|CS-0171114
      370864-72-5

    References

    • Levell, Julian; Astles, Peter; Eastwood, Paul; Cairns, Jennifer; Houille, Olivier; Aldous, Suzanne; Merriman, Gregory; Whiteley, Brian; Pribish, James; Czekaj, Mark; Liang, Guyan; Maignan, Sebastien; Guilloteau, Jean-Pierre; Dupuy, Alain; Davidson, Jane; Harrison, Trevor; Morley, Andrew; Watson, Simon; Fenton, Garry; McCarthy, Clive; Romano, Joseph; Mathew, Rose; Engers, Darren; Gardyan, Michael; Sides, Keith; Kwong, Jennifer; Tsay, Joseph; Rebello, Sam; Shen, Liduo; Wang, Jie; Luo, Yongyi; Giardino, Odessa; Lim, Heng-Keang; Smith, Keith; Pauls, Henry Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 8 p. 2859 - 2872
  • Route3

    References

    • Levell, Julian; Astles, Peter; Eastwood, Paul; Cairns, Jennifer; Houille, Olivier; Aldous, Suzanne; Merriman, Gregory; Whiteley, Brian; Pribish, James; Czekaj, Mark; Liang, Guyan; Maignan, Sebastien; Guilloteau, Jean-Pierre; Dupuy, Alain; Davidson, Jane; Harrison, Trevor; Morley, Andrew; Watson, Simon; Fenton, Garry; McCarthy, Clive; Romano, Joseph; Mathew, Rose; Engers, Darren; Gardyan, Michael; Sides, Keith; Kwong, Jennifer; Tsay, Joseph; Rebello, Sam; Shen, Liduo; Wang, Jie; Luo, Yongyi; Giardino, Odessa; Lim, Heng-Keang; Smith, Keith; Pauls, Henry Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 8 p. 2859 - 2872

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   2.02528
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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