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Ethyl 2-(1,4-diazepan-1-yl)acetate

  • CAS No. 913645-28-0

  • Cat. No. CS-0461528
  • Molecule weight186.25
  • Purity≥98%
  • MDL No.MFCD09050634

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

Ethyl 2-(1,4-diazepan-1-yl)acetate|CS-0461528

Structure of 913645-28-0

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General Information

  • CAS No. 913645-28-0
  • Cat. No. CS-0461528
  • Purity ≥98%
  • MDL No. MFCD09050634
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₈N₂O₂
  • Molecular Weight 186.25
  • Synonym(s) [1,4]Diazepan-1-yl-acetic acid ethyl ester
  • SMILES CCOC(=O)CN1CCCNCC1

Synthesis

  • Route1

    References

    • F. HOFFMANN-LA ROCHE AG Patent: WO2009/47161 A1, 2009 ; Location in patent: Page/Page column 132 ;
  • Route2
    • null|null
      1186016-68-1
    • ~%
    • Ethyl 2-(1,4-diazepan-1-yl)acetate|CS-0461528
      913645-28-0

    References

    • Boehringer Ingelheim Pharma KG Patent: US6972288 B1, 2005 ; Location in patent: Page/Page column 76 ; US 6972288 B1

Safety Information

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   -0.1552
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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