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CS-W001157 4
Total: USD 88.00

EMPO

  • CAS No. 61856-99-3

  • Cat. No. CS-0347974
  • Molecule weight171.19
  • Purity≥98%
  • MDL No.None

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

EMPO|CS-0347974

Structure of 61856-99-3

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General Information

  • CAS No. 61856-99-3
  • Cat. No. CS-0347974
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₃NO₃
  • Molecular Weight 171.19
  • Synonym(s) None
  • SMILES CC1(C(OCC)=O)[N+]([O-])=CCC1

Synthesis

  • Route1
    • null|null
      109571-48-4
    • ~47%
    • EMPO|CS-0347974
      61856-99-3

    References

    • Tsai, Pei; Ichikawa, Kazuhiro; Mailer, Colin; Pou, Sovitj; Halpern, Howard J.; Robinson, Bruce H.; Nielsen, Robert; Rosen, Gerald M. Journal of Organic Chemistry, 2003 , vol. 68, # 20 p. 7811 - 7817
  • Route2
    • null|null
      98426-90-5
    • ~%
    • EMPO|CS-0347974
      61856-99-3

    References

    • Bardelang, David; Rockenbauer, Antal; Karoui, Hakim; Finet, Jean-Pierre; Biskupska, Inga; Banaszak, Karol; Tordo, Paul Organic and Biomolecular Chemistry, 2006 , vol. 4, # 15 p. 2874 - 2882
  • Route3

    References

    • Kim, Shang-U; Liu, Yangping; Nash, Kevin M.; Zweier, Jay L.; Rockenbauer, Antal; Villamena, Frederick A. Journal of the American Chemical Society, 2010 , vol. 132, # 48 p. 17157 - 17173

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   0.6831
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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