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CS-W001157 4
Total: USD 88.00

1-(5-Methylpyridin-2-yl)piperazine

  • CAS No. 104395-86-0

  • Cat. No. CS-0440437
  • Molecule weight177.25
  • Purity≥98%
  • MDL No.None

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

1-(5-Methylpyridin-2-yl)piperazine|CS-0440437

Structure of 104395-86-0

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General Information

  • CAS No. 104395-86-0
  • Cat. No. CS-0440437
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅N₃
  • Molecular Weight 177.25
  • Synonym(s) 1-(5-Methyl-2-pyridinyl)piperazine
  • SMILES CC1=CN=C(C=C1)N2CCNCC2

Synthesis

  • Route1
    • tert-Butyl 4-(5-methylpyridin-2-yl)piperazine-1-carboxylate|CS-0708184
      907208-89-3
    • ~98%
    • 1-(5-Methylpyridin-2-yl)piperazine|CS-0440437
      104395-86-0

    References

    • Zimmermann, Holger; Brueckner, David; Henninger, Kerstin; Hendrix, Martin; Radtke, Martin Patent: US2010/144752 A1, 2010 ; Location in patent: Page/Page column 10 ;
  • Route2

    References

    • Link, James T.; Pliushchev, Marina A.; Rohde, Jeffrey J.; Wodka, Dariusz; Patel, Jyoti R.; Shuai, Qi Patent: US2005/245534 A1, 2005 ; Location in patent: Page/Page column 40 ; US 20050245534 A1
  • Route3

    References

    • Swanson, Devin M.; Dubin, Adrienne E.; Shah, Chandra; Nasser, Nadia; Chang, Leon; Dax, Scott L.; Jetter, Michele; Breitenbucher, J. Guy; Liu, Changlu; Mazur, Curt; Lord, Brian; Gonzales, Lisa; Hoey, Kenway; Rizzolio, Michele; Bogenstaetter, Michael; Codd, Ellen E.; Lee, Doo H.; Zhang, Sui-Po; Chaplan, Sandra R.; Carruthers, Nicholas I. Journal of Medicinal Chemistry, 2005 , vol. 48, # 6 p. 1857 - 1872

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   28.16
  • LogP   0.79962
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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