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CS-W001157 4
Total: USD 88.00

1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid hydrochloride

  • CAS No. 40117-95-1

  • Cat. No. CS-M1532
  • Molecule weight313.78
  • Purity≥98%
  • MDL No.None

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

1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid hydrochloride|CS-M1532

Structure of 40117-95-1

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General Information

  • CAS No. 40117-95-1
  • Cat. No. CS-M1532
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀ClNO₄
  • Molecular Weight 313.78
  • Synonym(s) Acetonitrile,[1,5,6,7-tetrahydro-1-(phenylmethyl)-4H-indol-4-ylidene]
  • SMILES O=C(O)CC1(C(O)=O)CCN(CC2=CC=CC=C2)CC1.[H]Cl

Synthesis

  • Route1
    • 1-Benzyl-4-(cyanomethyl)piperidine-4-carbonitrile|CS-M1533
      86945-27-9
    • ~97%
    • 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid hydrochloride|CS-M1532
      40117-95-1

    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
    • ~%
    • 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid hydrochloride|CS-M1532
      40117-95-1

    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
  • Route3
    • Ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate|CS-0328703
      1463-52-1
    • ~%
    • 1-Benzyl-4-(carboxymethyl)piperidine-4-carboxylic acid hydrochloride|CS-M1532
      40117-95-1

    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

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   77.84
  • LogP   2.2499
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   5

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