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CS-W001157 4
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N-Benzylprop-2-ynamide

  • CAS No. 87605-11-6

  • Cat. No. CS-0245569
  • Purity≥95%
  • MDL No.None

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

N-Benzylprop-2-ynamide|CS-0245569

Structure of 87605-11-6

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General Information

  • CAS No. 87605-11-6
  • Cat. No. CS-0245569
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO
  • Molecular Weight 159.18
  • Synonym(s) propynoic acid benzylamide
  • SMILES C#CC(NCC1=CC=CC=C1)=O

Synthesis

  • Route1
    • null|null
      100-46-9
    • null|null
      471-25-0
    • ~58%
    • N-Benzylprop-2-ynamide|CS-0245569
      87605-11-6

    References

    • Katritzky, Alan R.; Singh, Sandeep K. Journal of Organic Chemistry, 2002 , vol. 67, # 25 p. 9077 - 9079
  • Route2
    • null|null
      100-46-9
    • null|null
      623-47-2
    • ~67%
    • null|null
      53256-24-9
    • N-Benzylprop-2-ynamide|CS-0245569
      87605-11-6

    References

    • Bonte, Simon; Ghinea, Ioana Otilia; Baussanne, Isabelle; Xuereb, Jean-Paul; Dinica, Rodica; Demeunynck, Martine Tetrahedron, 2013 , vol. 69, # 26 p. 5495 - 5500
  • Route3
    • null|null
      107-19-7
    • null|null
      100-46-9
    • ~70%
    • N-Benzylprop-2-ynamide|CS-0245569
      87605-11-6

    References

    • Soule, Jean-Francois; Miyamura, Hiroyuki; Kobayashi, Shu Chemistry - An Asian Journal, 2013 , vol. 8, # 11 p. 2614 - 2626

Safety Information

Download SDS
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

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   0.936
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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