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CS-W001157 4
Total: USD 88.00

Azepan-4-ol

  • CAS No. 39888-51-2

  • Cat. No. CS-0053742
  • Purity≥97%
  • MDL No.MFCD04038479

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

Azepan-4-ol|CS-0053742

Structure of 39888-51-2

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General Information

  • CAS No. 39888-51-2
  • Cat. No. CS-0053742
  • Purity ≥97%
  • MDL No. MFCD04038479
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₃NO
  • Molecular Weight 115.17
  • Synonym(s) HEXAHYDRO-1H-AZEPIN-4-OL
  • SMILES OC1CCCNCC1

Synthesis

  • Route1
    • Azepan-4-one|CS-0440296
      105416-56-6
    • ~99%
    • Azepan-4-ol|CS-0053742
      39888-51-2

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG Patent: WO2008/22979 A1, 2008 ; Location in patent: Page/Page column 87 ;
  • Route2
    • 1-Benzylazepan-4-ol|CS-0729059
      109162-29-0
    • ~%
    • Azepan-4-ol|CS-0053742
      39888-51-2

    References

    • Sumitomo Pharmaceuticals Company, Limited Patent: EP1500643 A1, 2005 ; Location in patent: Page 48 ; EP 1500643 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.26
  • LogP   0.1208
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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