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CS-W001157 4
Total: USD 88.00

1-Benzyl-4-(methylamino)-4-piperidinecarbonitrile

  • CAS No. 953-79-7

  • Cat. No. CS-W012972
  • Molecule weight229.33
  • Purity≥98%
  • MDL No.MFCD00023748

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

1-Benzyl-4-(methylamino)-4-piperidinecarbonitrile|CS-W012972

Structure of 953-79-7

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General Information

  • CAS No. 953-79-7
  • Cat. No. CS-W012972
  • Purity ≥98%
  • MDL No. MFCD00023748
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉N₃
  • Molecular Weight 229.33
  • Synonym(s) 1-Benzyl-4-(methylamino)piperidine-4-carbonitrile
  • SMILES CNC1(CCN(CC2=CC=CC=C2)CC1)C#N

Synthesis

  • Route1
    • null|null
      3612-20-2
    • null|null
      593-51-1
    • null|null
      151-50-8
    • ~94%
    • 1-Benzyl-4-(methylamino)-4-piperidinecarbonitrile|CS-W012972
      953-79-7

    References

    • Mehrotra, Mukund M.; Heath, Julie A.; Smyth, Mark S.; Pandey, Anjali; Rose, Jack W.; Seroogy, Joseph M.; Volkots, Deborah L.; Nannizzi-Alaimo, Lisa; Park, Gary L.; Lambing, Joseph L.; Hollenbach, Stanley J.; Scarborough, Robert M. Journal of Medicinal Chemistry, 2004 , vol. 47, # 8 p. 2037 - 2061
  • Route2
    • null|null
      3612-20-2
    • null|null
      143-33-9
    • null|null
      74-89-5
    • ~55%
    • 1-Benzyl-4-(methylamino)-4-piperidinecarbonitrile|CS-W012972
      953-79-7

    References

    • Marco, Jose L.; Ingate; Chinchon Tetrahedron, 1999 , vol. 55, # 24 p. 7625 - 7644

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

Quality Control

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Computational Chemistry Data

  • TPSA   39.06
  • LogP   1.76418
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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