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CS-W001157 4
Total: USD 88.00

N,N-diisopropyl-4-nitrobenzamide

  • CAS No. 79606-48-7

  • Cat. No. CS-0523411
  • Purity≥98%
  • MDL No.MFCD00584230

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

N,N-diisopropyl-4-nitrobenzamide|CS-0523411

Structure of 79606-48-7

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General Information

  • CAS No. 79606-48-7
  • Cat. No. CS-0523411
  • Purity ≥98%
  • MDL No. MFCD00584230
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈N₂O₃
  • Molecular Weight 250.29
  • Synonym(s) N,N-diisopropyltoluamide
  • SMILES O=C(N(C(C)C)C(C)C)C1=CC=C([N+]([O-])=O)C=C1

Synthesis

  • Route1
    • null|null
      122-04-3
    • null|null
      108-18-9
    • ~94%
    • N,N-diisopropyl-4-nitrobenzamide|CS-0523411
      79606-48-7

    References

    • THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES Patent: EP1367046 A1, 2003 ; Location in patent: Page 23 ; EP 1367046 A1
  • Route2

    References

    • Fairfull-Smith, Kathryn E.; Jenkins, Ian D.; Longhlin, Wendy A. Organic and Biomolecular Chemistry, 2004 , vol. 2, # 14 p. 1979 - 1986
  • Route3

    References

    • Deka, Dibakar C.; Purkayastha, Biswajit; Paul, Maumita Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003 , vol. 42, # 10 p. 2641 - 2642

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   63.45
  • LogP   2.8538
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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