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CS-W001157 4
Total: USD 88.00

1,4-Diazabicyclo[3.2.2]nonan-3-one

  • CAS No. 53619-11-7

  • Cat. No. CS-0116768
  • Purity≥95%
  • MDL No.None

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

1,4-Diazabicyclo[3.2.2]nonan-3-one|CS-0116768

Structure of 53619-11-7

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General Information

  • CAS No. 53619-11-7
  • Cat. No. CS-0116768
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂N₂O
  • Molecular Weight 140.18
  • Synonym(s) 1,4-Diazobicyclo[3.2.2]nonan-3-one
  • SMILES O=C1CN(CC2)CCC2N1

Synthesis

  • Route1
    • 3-Hydroxyiminoquinclidine|CS-0366021
      35423-17-7
    • ~40%
    • 1,4-Diazabicyclo[3.2.2]nonan-3-one|CS-0116768
      53619-11-7

    References

    • NEUROSEARCH A/S Patent: WO2009/62987 A1, 2009 ; Location in patent: Page/Page column 16 ;
  • Route2
    • 3-Hydroxyiminoquinclidine|CS-0366021
      35423-17-7
    • ~40%
    • null|null
      89851-63-8
    • 1,4-Diazabicyclo[3.2.2]nonan-3-one|CS-0116768
      53619-11-7

    References

    • WO2004/29053 A1, ; Page 22 ; WO 2004/029053 A1
  • Route3
    • null|null
      78961-48-5
    • ~79%
    • 1,4-Diazabicyclo[3.2.2]nonan-3-one|CS-0116768
      53619-11-7

    References

    • Costa, Brian R. de; He, Xiao-shu; Linders, Joannes T.M.; Dominguez, Celia; Gu, Zi Qiang; et al. Journal of Medicinal Chemistry, 1993 , vol. 36, # 16 p. 2311 - 2320

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.34
  • LogP   -0.4194
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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