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CS-W001157 4
Total: USD 88.00

3,7-Dimethyl-8-nitro-2,3,6,7-tetrahydro-1h-purine-2,6-dione

  • CAS No. 91448-32-7

  • Cat. No. CS-0236431
  • Molecule weight225.16
  • Purity≥98%
  • MDL No.None

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

3,7-Dimethyl-8-nitro-2,3,6,7-tetrahydro-1h-purine-2,6-dione|CS-0236431

Structure of 91448-32-7

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General Information

  • CAS No. 91448-32-7
  • Cat. No. CS-0236431
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇N₅O₄
  • Molecular Weight 225.16
  • Synonym(s) 3,7-Dimethyl-8-nitropurine-2,6-dione
  • SMILES O=C(N1)N(C)C2=C(N(C)C([N+]([O-])=O)=N2)C1=O

Synthesis

  • Route1
    • Theobromine Aminophylline  Impurity|CS-0228790
      83-67-0
    • ~30%
    • 3,7-Dimethyl-8-nitro-2,3,6,7-tetrahydro-1h-purine-2,6-dione|CS-0236431
      91448-32-7

    References

    • Mosselhi; Pfleiderer Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 5 p. 1221 - 1228
  • Route2
    • null|null
      74-83-9
    • 3-Methyl-8-nitro-2,3,6,7-tetrahydro-1h-purine-2,6-dione|CS-0239410
      93703-23-2
    • ~76%
    • 3,7-Dimethyl-8-nitro-2,3,6,7-tetrahydro-1h-purine-2,6-dione|CS-0236431
      91448-32-7

    References

    • Romanenko; Fedulova; Lesnichaya; Priimenko; Pereverzeva; Aleksandrova Pharmaceutical Chemistry Journal, 1997 , vol. 31, # 4 p. 189 - 190

Safety Information

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

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Computational Chemistry Data

  • TPSA   115.82
  • LogP   -1.1315
  • H_Acceptors   7
  • H_Donors   1
  • Rotatable_Bonds   1

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