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CS-W001157 4
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8-Amino-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one

  • CAS No. 870064-81-6

  • Cat. No. CS-0367509
  • Molecule weight178.19
  • Purity≥98%
  • MDL No.None

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

8-Amino-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-0367509

Structure of 870064-81-6

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General Information

  • CAS No. 870064-81-6
  • Cat. No. CS-0367509
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O₂
  • Molecular Weight 178.19
  • Synonym(s) 8-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
  • SMILES CC1C(NC2=CC=CC(N)=C2O1)=O

Synthesis

  • Route1
    • null|null
      870064-75-8
    • ~90%
    • 8-Amino-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-0367509
      870064-81-6

    References

    • Smid, Pieter; Coolen, Hein K. A. C.; Keizer, Hiskias G.; Van Hes, Rolf; De Moes, Jan-Peter; Den Hartog, Arnold P.; Stork, Bob; Plekkenpol, Rob H.; Niemann, Leonarda C.; Stroomer, Cees N. J.; Tulp, Martin Th. M.; Van Stuivenberg, Herman H.; McCreary, Andrew C.; Hesselink, Mayke B.; Herremans, Arnoud H. J.; Kruse, Chris G. Journal of Medicinal Chemistry, 2005 , vol. 48, # 22 p. 6855 - 6869
  • Route2
    • 2-Chloro-N-(5-chloro-2-hydroxyphenyl)propanamide|CS-0328481
      17959-88-5
    • ~%
    • 8-Amino-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-0367509
      870064-81-6

    References

    • Smid, Pieter; Coolen, Hein K. A. C.; Keizer, Hiskias G.; Van Hes, Rolf; De Moes, Jan-Peter; Den Hartog, Arnold P.; Stork, Bob; Plekkenpol, Rob H.; Niemann, Leonarda C.; Stroomer, Cees N. J.; Tulp, Martin Th. M.; Van Stuivenberg, Herman H.; McCreary, Andrew C.; Hesselink, Mayke B.; Herremans, Arnoud H. J.; Kruse, Chris G. Journal of Medicinal Chemistry, 2005 , vol. 48, # 22 p. 6855 - 6869
  • Route3
    • null|null
      95-85-2
    • ~%
    • 8-Amino-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one|CS-0367509
      870064-81-6

    References

    • Smid, Pieter; Coolen, Hein K. A. C.; Keizer, Hiskias G.; Van Hes, Rolf; De Moes, Jan-Peter; Den Hartog, Arnold P.; Stork, Bob; Plekkenpol, Rob H.; Niemann, Leonarda C.; Stroomer, Cees N. J.; Tulp, Martin Th. M.; Van Stuivenberg, Herman H.; McCreary, Andrew C.; Hesselink, Mayke B.; Herremans, Arnoud H. J.; Kruse, Chris G. Journal of Medicinal Chemistry, 2005 , vol. 48, # 22 p. 6855 - 6869

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

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Computational Chemistry Data

  • TPSA   64.35
  • LogP   0.9882
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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