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CS-W001157 4
Total: USD 88.00

3-Amino-4-(benzylamino)benzoic acid

  • CAS No. 66315-38-6

  • Cat. No. CS-0365868
  • Molecule weight242.27
  • Purity95+%
  • MDL No.None

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

3-Amino-4-(benzylamino)benzoic acid|CS-0365868

Structure of 66315-38-6

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General Information

  • CAS No. 66315-38-6
  • Cat. No. CS-0365868
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₄N₂O₂
  • Molecular Weight 242.27
  • Synonym(s) 3-Amino-4-phenylmethylaminobenzoic acid
  • SMILES C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)O)N

Synthesis

  • Route1
    • 4-(Benzylamino)-3-nitrobenzoic acid|CS-0220062
      68502-37-4
    • ~%
    • 3-Amino-4-(benzylamino)benzoic acid|CS-0365868
      66315-38-6

    References

    • Ciba-Geigy Patent: DD133810DE2733156 , 1979 ; Chem.Abstr., 1978 , vol. 89, # 61044 Full Text Show Details Ciba-Geigy Patent: DD137939DE2807008 , 19791978 ; Chem.Abstr., 1979 , vol. 90, # 7597
  • Route2
    • Methyl 3-amino-4-(benzylamino)benzoate|CS-0207601
      68502-22-7
    • ~91%
    • 3-Amino-4-(benzylamino)benzoic acid|CS-0365868
      66315-38-6

    References

    • Goeker, Hakan; Tebrizli, Emin; Abbasoglu, Ufuk Farmaco, 1996 , vol. 51, # 1 p. 53 - 58
  • Route3

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

Quality Control

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Computational Chemistry Data

  • TPSA   75.35
  • LogP   2.5791
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   4

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