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CS-W001157 4
Total: USD 88.00

3-Methyl-N-phenylbut-2-enamide

  • CAS No. 13209-80-8

  • Cat. No. CS-0561184
  • Molecule weight175.23
  • Purity≥98%
  • MDL No.None

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

3-Methyl-N-phenylbut-2-enamide|CS-0561184

Structure of 13209-80-8

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General Information

  • CAS No. 13209-80-8
  • Cat. No. CS-0561184
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO
  • Molecular Weight 175.23
  • Synonym(s) N-phenyl-3-methyl-2-butenamide
  • SMILES CC(=CC(=O)NC1=CC=CC=C1)C

Synthesis

  • Route1
    • null|null
      3350-78-5
    • null|null
      74497-02-2
    • ~99%
    • 3-Methyl-N-phenylbut-2-enamide|CS-0561184
      13209-80-8

    References

    • NEUROCRINE BIOSCIENCES, INC. Patent: WO2008/124614 A1, 2008 ; Location in patent: Page/Page column 41 ; WO 2008/124614 A1
  • Route2

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ; Title/Abstract Full Text Show Details Vertex Pharmaceuticals Incorporated Patent: US2012/309758 A1, 2012 ; US 20120309758 A1
  • Route3
    • null|null
      26485-24-5
    • ~%
    • 3-Methyl-N-phenylbut-2-enamide|CS-0561184
      13209-80-8

    References

    • Nagata,W.; Kamata,S. Journal of the Chemical Society [Section] C: Organic, 1970 , p. 540 - 550

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   29.1
  • LogP   2.5913
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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