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CS-W001157 4
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(E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethylacrylamide Entacapone Impurity

  • CAS No. 857629-79-9

  • Cat. No. CS-0531833
  • Purity≥98%
  • MDL No.None

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

(E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethylacrylamide Entacapone Impurity|CS-0531833

Structure of 857629-79-9

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General Information

  • CAS No. 857629-79-9
  • Cat. No. CS-0531833
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₉N₃O₅
  • Molecular Weight 333.34
  • Synonym(s) 3-O-ethylentacapone
  • SMILES CCN(CC)C(/C(C#N)=C/C1=CC(OCC)=C(C([N+]([O-])=O)=C1)O)=O

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   116.7
  • LogP   2.47448
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   7

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