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CS-W001157 4
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1,3-Dimethyl-5-nitro-2,4(1H,3H)-pyrimidinedione

  • CAS No. 41613-26-7

  • Cat. No. CS-0308933
  • Purity≥97%
  • MDL No.None

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

1,3-Dimethyl-5-nitro-2,4(1H,3H)-pyrimidinedione|CS-0308933

Structure of 41613-26-7

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General Information

  • CAS No. 41613-26-7
  • Cat. No. CS-0308933
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇N₃O₄
  • Molecular Weight 185.14
  • Synonym(s) 1,3-DIMETHYL-5-NITROURACIL HYDRATE
  • SMILES CN1C=C(C(=O)N(C)C1=O)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • NOVARTIS AG; FURET, Pascal; GUAGNANO, Vito; HOLZER, Philipp; KALLEN, Joerg; LIAO, Lv; MAH, Robert; MAO, Liang; MASUYA, Keiichi; SCHLAPBACH, Achim; STUTZ, Stefan; VAUPEL, Andrea Patent: WO2013/111105 A1, 2013 ; Location in patent: Page/Page column 280 ;
  • Route2

    References

    • Hedayatullah, Mir Journal of Heterocyclic Chemistry, 1981 , vol. 18, p. 339 - 342
  • Route3

    References

    • Pecorari; Vampa; Albasini; Rinaldi; Melegari; Costi Farmaco, Edizione Scientifica, 1988 , vol. 43, # 4 p. 311 - 318

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   87.14
  • LogP   -1.0078
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   1

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