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CS-W001157 4
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1-(Azepan-1-yl)ethan-1-one

  • CAS No. 5809-41-6

  • Cat. No. CS-0225877
  • Molecule weight141.21
  • Purity≥98%
  • MDL No.None

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

1-(Azepan-1-yl)ethan-1-one|CS-0225877

Structure of 5809-41-6

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General Information

  • CAS No. 5809-41-6
  • Cat. No. CS-0225877
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₅NO
  • Molecular Weight 141.21
  • Synonym(s) 1-Acetylhexahydro-1H-azepine
  • SMILES CC(=O)N1CCCCCC1

Synthesis

  • Route1
    • null|null
      111-49-9
    • null|null
      108-24-7
    • ~89%
    • 1-(Azepan-1-yl)ethan-1-one|CS-0225877
      5809-41-6

    References

    • Laboratorios del. Dr. Esteve, S.A.; Alcalde-Pais, María de las Ermitas; Almansa-Rosales, Carmen; Diaz-Fernandez, Jose-Luis; Mesquida-Estevez, Maria de les Neus; Paloma-Romeu, Laura Patent: EP2682391 A1, 2014 ; Location in patent: Paragraph 0093-0095 ;
  • Route2
    • null|null
      111-49-9
    • null|null
      75-36-5
    • ~%
    • 1-(Azepan-1-yl)ethan-1-one|CS-0225877
      5809-41-6

    References

    • Kolesnikow et al. Zhurnal Obshchei Khimii, 1957 , vol. 27, p. 3005,3007;engl.Ausg.S.3034,3036

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   1.4089
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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