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CS-W001157 4
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3-Amino-5-methyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one

  • CAS No. 205989-36-2

  • Cat. No. CS-0336511
  • Molecule weight189.21
  • Purity≥97%
  • MDL No.None

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

3-Amino-5-methyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one|CS-0336511

Structure of 205989-36-2

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General Information

  • CAS No. 205989-36-2
  • Cat. No. CS-0336511
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁N₃O
  • Molecular Weight 189.21
  • Synonym(s) 3-amino-5-methyl-1H-benzo[e][1,4]diazepin-2(3H)-one
  • SMILES CC1=NC(N)C(NC2=CC=CC=C12)=O

Synthesis

  • Route1
    • null|null
      157837-04-2
    • ~%
    • 3-Amino-5-methyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one|CS-0336511
      205989-36-2

    References

    • Carter, Malcolm C.; Alber, Dagmar G.; Baxter, Robert C.; Bithell, Sian K.; Budworth, Jo; Chubb, Ann; Cockerill, G. Stuart; Dowdell, Verity C. L.; Henderson, Elisa A.; Keegan, Sally J.; Kelsey, Richard D.; Lockyer, Michael J.; Stables, Jeremy N.; Wilson, Lara J.; Powell, Kenneth L. Journal of Medicinal Chemistry, 2006 , vol. 49, # 7 p. 2311 - 2319
  • Route2
    • null|null
      173459-40-0
    • ~%
    • 3-Amino-5-methyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one|CS-0336511
      205989-36-2

    References

    • Carter, Malcolm C.; Alber, Dagmar G.; Baxter, Robert C.; Bithell, Sian K.; Budworth, Jo; Chubb, Ann; Cockerill, G. Stuart; Dowdell, Verity C. L.; Henderson, Elisa A.; Keegan, Sally J.; Kelsey, Richard D.; Lockyer, Michael J.; Stables, Jeremy N.; Wilson, Lara J.; Powell, Kenneth L. Journal of Medicinal Chemistry, 2006 , vol. 49, # 7 p. 2311 - 2319

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   67.48
  • LogP   0.7325
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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