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CS-W001157 4
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Ethyl nicotinoylglycinate

  • CAS No. 54466-74-9

  • Cat. No. CS-0539659
  • Purity≥98%
  • MDL No.None

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

Ethyl nicotinoylglycinate|CS-0539659

Structure of 54466-74-9

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General Information

  • CAS No. 54466-74-9
  • Cat. No. CS-0539659
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O₃
  • Molecular Weight 208.21
  • Synonym(s) Glycine, N-(3-pyridinylcarbonyl)-, ethyl ester
  • SMILES CCOC(=O)CNC(=O)C1=CN=CC=C1

Synthesis

  • Route1

    References

    • Shinkai, Sheiji; Ishikawa, Yuichi; Shinkai, Hiroko; Tsuno, Takaharu; Makishima, Hiroki; et al. Journal of the American Chemical Society, 1984 , vol. 106, # 6 p. 1801 - 1808
  • Route2

    References

    • Munakata; Tanaka; Toyoshima Chemical and Pharmaceutical Bulletin, 1980 , vol. 28, # 7 p. 2045 - 2051
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    • H-Gly-Oet|CS-0636597
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    • Ethyl nicotinoylglycinate|CS-0539659
      54466-74-9

    References

    • Meyer; Graf Biochemische Zeitschrift, 1930 , vol. 229, p. 154,156 Full Text Show Details Lanfranchi Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1942 , vol. <7> 3, p. 103,108

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   68.29
  • LogP   0.3745
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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