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CS-W001157 4
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2-Chloro-N-cyclohexylnicotinamide

  • CAS No. 57841-70-0

  • Cat. No. CS-0132469
  • Molecule weight238.71
  • Purity≥98%
  • MDL No.MFCD01344059

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

2-Chloro-N-cyclohexylnicotinamide|CS-0132469

Structure of 57841-70-0

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General Information

  • CAS No. 57841-70-0
  • Cat. No. CS-0132469
  • Purity ≥98%
  • MDL No. MFCD01344059
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅ClN₂O
  • Molecular Weight 238.71
  • Synonym(s) 2-chloro-N-cyclohexyl-pyridine-3-carboxamide
  • SMILES O=C(C1=CC=CN=C1Cl)NC2CCCCC2

Synthesis

  • Route1
    • 2-Chloronicotinoyl chloride|CS-W017427
      49609-84-9
    • null|null
      108-91-8
    • ~%
    • 2-Chloro-N-cyclohexylnicotinamide|CS-0132469
      57841-70-0

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2008/12532 A2, 2008 ; Location in patent: Page/Page column 54-55 ; WO 2008/012532 A2
  • Route2

    References

    • Manera, Clementina; Saccomanni, Giuseppe; Malfitano, Anna Maria; Bertini, Simone; Castelli, Francesca; Laezza, Chiara; Ligresti, Alessia; Lucchesi, Valentina; Tuccinardi, Tiziano; Rizzolio, Flavio; Bifulco, Maurizio; Di Marzo, Vincenzo; Giordano, Antonio; MacChia, Marco; Martinelli, Adriano European Journal of Medicinal Chemistry, 2012 , vol. 52, p. 284 - 294

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   41.99
  • LogP   2.7975
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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