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CS-W001157 4
Total: USD 88.00

1-Benzyl-4-(cyanomethyl)piperidine-4-carbonitrile

  • CAS No. 86945-27-9

  • Cat. No. CS-M1533
  • Purity≥98%
  • MDL No.MFCD13185971

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

1-Benzyl-4-(cyanomethyl)piperidine-4-carbonitrile|CS-M1533

Structure of 86945-27-9

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General Information

  • CAS No. 86945-27-9
  • Cat. No. CS-M1533
  • Purity ≥98%
  • MDL No. MFCD13185971
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₇N₃
  • Molecular Weight 239.32
  • Synonym(s) 1-BENZYL-4-CYANOMETHYL-PIPERIDINE-4-CARBONITRILE
  • SMILES N#CCC1(C#N)CCN(CC2=CC=CC=C2)CC1

Synthesis

  • Route1
    • Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate|CS-0328703
      1463-52-1
    • null|null
      151-50-8
    • ~61%
    • 1-Benzyl-4-(cyanomethyl)piperidine-4-carbonitrile|CS-M1533
      86945-27-9

    References

    • New, J. S.; Yevich, J. P. Synthesis, 1983 , # 5 p. 388 - 389
  • Route2
    • null|null
      3612-20-2
    • ~%
    • 1-Benzyl-4-(cyanomethyl)piperidine-4-carbonitrile|CS-M1533
      86945-27-9

    References

    • Journal of Medicinal Chemistry, , vol. 47, # 8 p. 2037 - 2061

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   50.82
  • LogP   2.70606
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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