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CS-W001157 4
Total: USD 88.00

1-Benzyl-1,4-diazepan-5-one

  • CAS No. 55186-89-5

  • Cat. No. CS-W005996
  • Purity≥98%
  • MDL No.MFCD00225259

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

1-Benzyl-1,4-diazepan-5-one|CS-W005996

Structure of 55186-89-5

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General Information

  • CAS No. 55186-89-5
  • Cat. No. CS-W005996
  • Purity ≥98%
  • MDL No. MFCD00225259
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆N₂O
  • Molecular Weight 204.27
  • Synonym(s) 1-Benzyl-[1,4]diazepan-5-one; 1-Benzyl-1,4-diazepan-5-one
  • SMILES C2=C(CN1CCC(=O)NCC1)C=CC=C2

Synthesis

  • Route1
    • null|null
      3612-20-2
    • ~48%
    • In-stock
      1-Benzyl-1,4-diazepan-5-one|CS-W005996
      55186-89-5

    References

    • DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1591443 A1, 2005 ; Location in patent: Page/Page column 72 ;
  • Route2

    References

    • Isobe, Toshio; Ishikawa, Tsutomu Journal of Organic Chemistry, 1999 , vol. 64, # 16 p. 5832 - 5835

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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   32.34
  • LogP   1.0085
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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