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CS-W001157 4
Total: USD 88.00

7-Amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione

  • CAS No. 14576-22-8

  • Cat. No. CS-0512131
  • Molecule weight204.23
  • Purity≥98%
  • MDL No.None

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

7-Amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione|CS-0512131

Structure of 14576-22-8

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General Information

  • CAS No. 14576-22-8
  • Cat. No. CS-0512131
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂N₂O₂
  • Molecular Weight 204.23
  • Synonym(s) 7-amino-4,4-dimethylisoquinoline-1,3-dione
  • SMILES O=C1NC(C(C)(C)C2=C1C=C(N)C=C2)=O

Synthesis

  • Route1
    • 4,4-Dimethyl-7-nitroisoquinoline-1,3(2h,4h)-dione|CS-0751432
      14576-21-7
    • ~10%
    • 7-Amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione|CS-0512131
      14576-22-8

    References

    • Snow, Roger J.; Cardozo, Mario G.; Morwick, Tina M.; Busacca, Carl A.; Dong, Yong; Eckner, Robert J.; Jacober, Stephen; Jakes, Scott; Kapadia, Suresh; Lukas, Susan; Panzenbeck, Maret; Peet, Gregory W.; Peterson, Jeffrey D.; Prokopowicz III, Anthony S.; Sellati, Rosemarie; Tolbert, Robert M.; Tschantz, Matt A.; Moss, Neil Journal of Medicinal Chemistry, 2002 , vol. 45, # 16 p. 3394 - 3405
  • Route2

    References

    • Snow, Roger J.; Cardozo, Mario G.; Morwick, Tina M.; Busacca, Carl A.; Dong, Yong; Eckner, Robert J.; Jacober, Stephen; Jakes, Scott; Kapadia, Suresh; Lukas, Susan; Panzenbeck, Maret; Peet, Gregory W.; Peterson, Jeffrey D.; Prokopowicz III, Anthony S.; Sellati, Rosemarie; Tolbert, Robert M.; Tschantz, Matt A.; Moss, Neil Journal of Medicinal Chemistry, 2002 , vol. 45, # 16 p. 3394 - 3405

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   72.19
  • LogP   0.8164
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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