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3-Hydroxy-N,N,N-trimethylbenzenaminium iodide Neostigmine Impurity

  • CAS No. 2498-27-3

  • Cat. No. CS-0533411
  • Purity≥98%
  • MDL No.None

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

3-Hydroxy-N,N,N-trimethylbenzenaminium iodide Neostigmine Impurity|CS-0533411

Structure of 2498-27-3

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General Information

  • CAS No. 2498-27-3
  • Cat. No. CS-0533411
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄INO
  • Molecular Weight 279.12
  • Synonym(s) 3-Hydroxyphenyltrimethylammonium Iodide
  • SMILES OC1=CC=CC([N+](C)(C)C)=C1.[I-]

Synthesis

  • Route1

    References

    • Ortega, Paula; Copa-Patino, Jose Luis; Munoz-Fernandez, Ma Angeles; Soliveri, Juan; Gomez, Rafael; De La Mata, F. Javier Organic and Biomolecular Chemistry, 2008 , vol. 6, # 18 p. 3264 - 3269
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      74-88-4
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    • 3-Hydroxy-N,N,N-trimethylbenzenaminium iodide Neostigmine Impurity|CS-0533411
      2498-27-3

    References

    • Fujio,M. et al. Bulletin of the Chemical Society of Japan, 1975 , vol. 48, p. 2127 - 2133
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      84649-54-7
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    • Decanoic acid, ≥99.5%|CS-1268658
      334-48-5
    • 3-Hydroxy-N,N,N-trimethylbenzenaminium iodide Neostigmine Impurity|CS-0533411
      2498-27-3

    References

    • Okubo, Tsuneo; Ueda, Masahiro; Sugimura, Mutsuyuki; Kitano, Hiromi; Ise, Norio Journal of Physical Chemistry, 1983 , vol. 87, # 7 p. 1224 - 1227

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   20.23
  • LogP   -1.4071
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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