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CS-W001157 4
Total: USD 88.00

3-Iodo-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

  • CAS No. 398117-44-7

  • Cat. No. CS-0068198
  • Molecule weight276.04
  • Purity≥98%
  • MDL No.None

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

3-Iodo-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine|CS-0068198

Structure of 398117-44-7

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General Information

  • CAS No. 398117-44-7
  • Cat. No. CS-0068198
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅IN₆
  • Molecular Weight 276.04
  • Synonym(s) 3-Iodo-6-azaindazole
  • SMILES NC1=C2C(NN=C2I)=NC(N)=N1

Synthesis

  • Route1
    • 1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine|CS-0059006
      5413-80-9
    • ~66%
    • 3-Iodo-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine|CS-0068198
      398117-44-7

    References

    • Seela, Frank; Xu, Kuiying Organic and Biomolecular Chemistry, 2007 , vol. 5, # 18 p. 3034 - 3045
  • Route2
    • null|null
      183274-51-3
    • ~72%
    • 3-Iodo-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine|CS-0068198
      398117-44-7

    References

    • Seela, Frank; Xu, Kuiying Organic and Biomolecular Chemistry, 2007 , vol. 5, # 18 p. 3034 - 3045

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   106.5
  • LogP   0.1219
  • H_Acceptors   5
  • H_Donors   3
  • Rotatable_Bonds   0

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