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CS-W001157 4
Total: USD 88.00

3-Amino-4-(isopropylamino)benzoic acid

  • CAS No. 284673-06-9

  • Cat. No. CS-0274521
  • Molecule weight194.23
  • Purity95+%
  • MDL No.None

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

3-Amino-4-(isopropylamino)benzoic acid|CS-0274521

Structure of 284673-06-9

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General Information

  • CAS No. 284673-06-9
  • Cat. No. CS-0274521
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄N₂O₂
  • Molecular Weight 194.23
  • Synonym(s) Benzoic acid, 3-amino-4-[(1-methylethyl)amino]- (9CI)
  • SMILES CC(C)NC1=C(C=C(C=C1)C(=O)O)N

Synthesis

  • Route1
    • 4-(Isopropylamino)-3-nitrobenzoic acid|CS-0733508
      284672-95-3
    • ~%
    • 3-Amino-4-(isopropylamino)benzoic acid|CS-0274521
      284673-06-9

    References

    • ARENA PHARMACEUTICALS, INC. Patent: WO2004/41274 A1, 2004 ; Location in patent: Page/Page column 47 ; WO 2004/041274 A1
  • Route2

    References

    • Semple, Graeme; Skinner, Philip J.; Cherrier, Martin C.; Webb, Peter J.; Sage, Carleton R.; Tamura, Susan Y.; Chen, Ruoping; Richman, Jeremy G.; Connolly, Daniel T. Journal of Medicinal Chemistry, 2006 , vol. 49, # 4 p. 1227 - 1230

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   75.35
  • LogP   1.7873
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   3

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