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CS-W001157 4
Total: USD 88.00

4-Phenyl-piperidine-4-carbonitrile

  • CAS No. 40481-13-8

  • Cat. No. CS-0341825
  • Molecule weight186.25
  • Purity≥98%
  • MDL No.None

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

4-Phenyl-piperidine-4-carbonitrile|CS-0341825

Structure of 40481-13-8

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General Information

  • CAS No. 40481-13-8
  • Cat. No. CS-0341825
  • 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) 4-Phenylpiperidine-4-carbonitrile
  • SMILES C1=CC=C(C=C1)C2(CCNCC2)C#N

Synthesis

  • Route1

    References

    • NEUROCHEM (INTERNATIONAL) LIMITED Patent: WO2004/113275 A2, 2004 ; Location in patent: Page 170; 171 ;
  • Route2
    • 1-Benzyl-4-phenylpiperidine-4-carbonitrile|CS-0667519
      56243-25-5
    • ~94%
    • 4-Phenyl-piperidine-4-carbonitrile|CS-0341825
      40481-13-8

    References

    • Tang, Haifeng; Yan, Yan; Feng, Zhe; De Jesus, Reynalda K.; Yang, Lihu; Levorse, Dorothy A.; Owens, Karen A.; Akiyama, Taro E.; Bergeron, Raynald; Castriota, Gino A.; Doebber, Thomas W.; Ellsworth, Kenneth P.; Lassman, Michael E.; Li, Cai; Wu, Margaret S.; Zhang, Bei B.; Chapman, Kevin T.; Mills, Sander G.; Berger, Joel P.; Pasternak, Alexander Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 20 p. 6088 - 6092
  • Route3

    References

    • Kwartler; Lucas Journal of the American Chemical Society, 1947 , vol. 69, p. 2582,2585

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319
Precautionary Statements : P264-P270-P280-P330-P405-P501

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   1.83138
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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