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CS-W001157 4
Total: USD 88.00

2-Acetylaminoisonicotinic acid

  • CAS No. 54221-95-3

  • Cat. No. CS-W017216
  • Purity≥95%
  • MDL No.MFCD00233713

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

2-Acetylaminoisonicotinic acid|CS-W017216

Structure of 54221-95-3

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General Information

  • CAS No. 54221-95-3
  • Cat. No. CS-W017216
  • Purity ≥95%
  • MDL No. MFCD00233713
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₃
  • Molecular Weight None
  • Synonym(s) 2-Acetylamino-isonicotinic acid
  • SMILES O=C(C1=CC=NC(NC(C)=O)=C1)O

Synthesis

  • Route1

    References

    • MERCKLE GMBH Patent: EP1894925 A1, 2008 ; Location in patent: Page/Page column 14; 41 ;
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 23 p. 5978 - 5981

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

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Computational Chemistry Data

  • TPSA   79.29
  • LogP   0.7382
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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