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CS-W001157 4
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2-Nitro-5-(piperidin-1-yl)benzamide

  • CAS No. 421558-77-2

  • Cat. No. CS-0552281
  • Molecule weight249.27
  • Purity≥98%
  • MDL No.None

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

2-Nitro-5-(piperidin-1-yl)benzamide|CS-0552281

Structure of 421558-77-2

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General Information

  • CAS No. 421558-77-2
  • Cat. No. CS-0552281
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅N₃O₃
  • Molecular Weight 249.27
  • Synonym(s) 2-Nitro-5-piperidinobenzenecarboxamide
  • SMILES O=C(N)C1=CC(N2CCCCC2)=CC=C1[N+]([O-])=O

Synthesis

  • Route1

    References

    • Lopez, Simon E.; Rosales, Monica E.; Canelon, Carlos E.; Valverde, Edgar A.; Narvaez, Rosa C.; Charris, Jaime E.; Giannini, Fernando A.; Enriz, Ricardo D.; Carrasco, Mirta; Zacchino, Susana Heterocyclic Communications, 2001 , vol. 7, # 5 p. 473 - 480
  • Route2

    References

    • Hour; Huang; Kuo; Xia; Bastow; Nakanishi; Hamel; Lee Journal of Medicinal Chemistry, 2000 , vol. 43, # 23 p. 4479 - 4487
  • Route3

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2004/37814 A1, 2004 ; Location in patent: Page 177 ; WO 2004/037814 A1

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   89.47
  • LogP   1.684
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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