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CS-W001157 4
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1-(Azepan-1-yl)butane-1,3-dione

  • CAS No. 78553-62-5

  • Cat. No. CS-0248325
  • Purity≥95%
  • MDL No.None

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

1-(Azepan-1-yl)butane-1,3-dione|CS-0248325

Structure of 78553-62-5

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General Information

  • CAS No. 78553-62-5
  • Cat. No. CS-0248325
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₇NO₂
  • Molecular Weight 183.25
  • Synonym(s) None
  • SMILES CC(CC(N1CCCCCC1)=O)=O

Synthesis

  • Route1

    References

    • Vaccaro, Wayne; Huynh, Tram; Lloyd, John; Atwal, Karnail; Finlay, Heather J.; Levesque, Paul; Conder, Mary Lee; Jenkins-West, Tonya; Shi, Hong; Sun, Lucy Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 24 p. 6381 - 6385
  • Route2
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      674-82-8
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      111-49-9
    • ~%
    • 1-(Azepan-1-yl)butane-1,3-dione|CS-0248325
      78553-62-5

    References

    • Beger, J.; Thielemann, C. Journal fuer Praktische Chemie (Leipzig), 1981 , vol. 323, # 2 p. 337 - 344

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   37.38
  • LogP   1.3681
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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