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CS-W001157 4
Total: USD 88.00

1-Hexyl-1H-pyrrole-2,5-dione

  • CAS No. 17450-29-2

  • Cat. No. CS-0548011
  • Purity≥98%
  • MDL No.None

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

1-Hexyl-1H-pyrrole-2,5-dione|CS-0548011

Structure of 17450-29-2

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General Information

  • CAS No. 17450-29-2
  • Cat. No. CS-0548011
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅NO₂
  • Molecular Weight 181.23
  • Synonym(s) 1-Hexylpyrrole-2,5-dione
  • SMILES CCCCCCN1C(=O)C=CC1=O

Synthesis

  • Route1
    • null|null
      111-26-2
    • ~%
    • 1-Hexyl-1H-pyrrole-2,5-dione|CS-0548011
      17450-29-2

    References

    • AstraZeneca AB Patent: EP1075261 B1, 2006 ; Location in patent: Page/Page column 9 ;
  • Route2

    References

    • Cheronis, John C.; Whalley, Eric T.; Allen, Lisa G.; Loy, Sharon D.; Elder, Megan W.; et al. Journal of Medicinal Chemistry, 1994 , vol. 37, # 3 p. 348 - 355

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.38
  • LogP   1.4917
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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