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CS-W001157 4
Total: USD 88.00

1-(3-Chloropropyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione

  • CAS No. 74409-52-2

  • Cat. No. CS-W014277
  • Molecule weight256.69
  • Purity≥98%
  • MDL No.MFCD00059926

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

1-(3-Chloropropyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione|CS-W014277

Structure of 74409-52-2

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General Information

  • CAS No. 74409-52-2
  • Cat. No. CS-W014277
  • Purity ≥98%
  • MDL No. MFCD00059926
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃ClN₄O₂
  • Molecular Weight 256.69
  • Synonym(s) Chloropropyltheobromine
  • SMILES O=C(N1CCCCl)N(C)C2=C(N(C)C=N2)C1=O

Synthesis

  • Route1
    • Theobromine Aminophylline  Impurity|CS-0228790
      83-67-0
    • null|null
      109-70-6
    • ~75%
    • 1-(3-Chloropropyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione|CS-W014277
      74409-52-2

    References

    • Zlatkov; Peikov; Rodriguez-Alvarez; Danchev; Nikolova; Mitkov European Journal of Medicinal Chemistry, 2000 , vol. 35, # 10 p. 941 - 948
  • Route2
    • Theobromine Aminophylline  Impurity|CS-0228790
      83-67-0
    • null|null
      142-28-9
    • ~93%
    • 1-(3-Chloropropyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione|CS-W014277
      74409-52-2

    References

    • Kalcheva, Veneta B.; Apostolova, Tatiana M.; Anakieva, Violeta Z. Journal fuer Praktische Chemie (Leipzig), 1985 , vol. 327, # 1 p. 165 - 168

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   61.82
  • LogP   0.0626
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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