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CS-W001157 4
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N-(1-adamantyl)-2-chloroacetamide

  • CAS No. 5689-59-8

  • Cat. No. CS-0116501
  • Molecule weight227.73
  • Purity95+%
  • MDL No.None

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

N-(1-adamantyl)-2-chloroacetamide|CS-0116501

Structure of 5689-59-8

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General Information

  • CAS No. 5689-59-8
  • Cat. No. CS-0116501
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈ClNO
  • Molecular Weight 227.73
  • Synonym(s) N-(Adamantan-1-yl)-2-chloroacetamide
  • SMILES O=C(CCl)NC12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3

Synthesis

  • Route1

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 18, p. 867 - 871 Zhurnal Organicheskoi Khimii, , vol. 18, # 5 p. 1001 - 1005
  • Route2

    References

    • Giordanetto, Fabrizio; Knerr, Laurent; Selmi, Nidhal; Llins, Antonio; Lindqvist, Anders; Wang, Qing-Dong; Sthlberg, Pernilla; Thorstensson, Fredrik; Ullah, Victoria; Nilsson, Kristina; O'Mahony, Gavin; Hoegberg, Got; Lindhardt, Emma; Strand, Annika; Duker, Goeran Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 18 p. 5557 - 5561
  • Route3

    References

    • HEXAL AG Patent: WO2007/96124 A1, 2007 ; Location in patent: Page/Page column 14 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   2.3102
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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