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CS-W001157 4
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3-((4-aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride Vitamin Impurity

  • CAS No. 7770-93-6

  • Cat. No. CS-0166203
  • Purity≥98%
  • MDL No.MFCD22056115

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

3-((4-aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride  Vitamin Impurity|CS-0166203

Structure of 7770-93-6

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General Information

  • CAS No. 7770-93-6
  • Cat. No. CS-0166203
  • Purity ≥98%
  • MDL No. MFCD22056115
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅ClN₄OS
  • Molecular Weight 286.78
  • Synonym(s) 3-[(4-Aminopyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride
  • SMILES CC1=C(CCO)SC=[N+]1CC2=CN=CN=C2N.[Cl-]

Synthesis

  • Route1
    • null|null
      98135-63-8
    • 3-Chloro-4-oxopentyl acetate|CS-0324583
      13051-49-5
    • ~%
    • 3-((4-aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride  Vitamin Impurity|CS-0166203
      7770-93-6

    References

    • Karrer et al. Helvetica Chimica Acta, 1950 , vol. 33, p. 1482,1484
  • Route2
    • 2-(4-Methylthiazol-5-yl)ethanol  Vitamin Impurity|CS-0167056
      137-00-8
    • ~%
    • 3-((4-aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride  Vitamin Impurity|CS-0166203
      7770-93-6

    References

    • Winthrop Chem. Co. Patent: US2386766 , 1936 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   75.91
  • LogP   -2.69668
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   4

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