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CS-W001157 4
Total: USD 88.00

2-(Isopropylamino)benzoic acid

  • CAS No. 50817-45-3

  • Cat. No. CS-0274527
  • Molecule weight179.22
  • Purity95+%
  • MDL No.None

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

2-(Isopropylamino)benzoic acid|CS-0274527

Structure of 50817-45-3

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General Information

  • CAS No. 50817-45-3
  • Cat. No. CS-0274527
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂
  • Molecular Weight 179.22
  • Synonym(s) 2-(propan-2-ylamino)benzoic acid
  • SMILES CC(C)NC1=CC=CC=C1C(=O)O

Synthesis

  • Route1

    References

    • Sandoz Pharm. Corp. Patent: US4670600 A1, 1987 ;
  • Route2
    • null|null
      75-31-0
    • 2-Chlorobenzoic acid Mesalazine  Impurity|CS-0229161
      118-91-2
    • ~76%
    • 2-(Isopropylamino)benzoic acid|CS-0274527
      50817-45-3

    References

    • Pellon, Rolando F.; Estevez-Braun, Ana; Docampo, Maite L.; Martin, Ana; Ravelo, Angel G. Synlett, 2005 , # 10 art. no. S01005ST, p. 1606 - 1608
  • Route3

    References

    • Ozaki; Yamada; Oine; Ishizuka; Iwasawa Journal of Medicinal Chemistry, 1985 , vol. 28, # 5 p. 568 - 576

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   49.33
  • LogP   2.2051
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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