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CS-W001157 4
Total: USD 88.00

3-Amino-4-(phenylamino)benzoic acid

  • CAS No. 55296-17-8

  • Cat. No. CS-0331784
  • Molecule weight228.25
  • Purity95+%
  • MDL No.None

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

3-Amino-4-(phenylamino)benzoic acid|CS-0331784

Structure of 55296-17-8

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General Information

  • CAS No. 55296-17-8
  • Cat. No. CS-0331784
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂N₂O₂
  • Molecular Weight 228.25
  • Synonym(s) 3-AMINO-4-PHENYLAMINO-BENZOIC ACID
  • SMILES C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)N

Synthesis

  • Route1
    • 3-Nitro-4-(phenylamino)benzoic acid|CS-0233014
      16927-49-4
    • ~93%
    • 3-Amino-4-(phenylamino)benzoic acid|CS-0331784
      55296-17-8

    References

    • Sumitomo Chemical Company, Limited Patent: EP2436683 A1, 2012 ; Location in patent: Page/Page column 44 ;
  • Route2

    References

    • Brink, Mikael; Dahlen, Anders; Olsson, Thomas; Polla, Magnus; Svensson, Tor Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 7 p. 2261 - 2268
  • Route3
    • null|null
      74497-02-2
    • ~%
    • 3-Amino-4-(phenylamino)benzoic acid|CS-0331784
      55296-17-8

    References

    • Palmer, Brian D. Journal of Medicinal Chemistry, 1998 , vol. 41, # 27 p. 5457 - 5465

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   75.35
  • LogP   2.7106
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   3

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