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CS-W001157 4
Total: USD 88.00

4-(Benzylamino)-3-nitrobenzoic acid

  • CAS No. 68502-37-4

  • Cat. No. CS-0220062
  • Molecule weight272.26
  • Purity95+%
  • MDL No.None

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

4-(Benzylamino)-3-nitrobenzoic acid|CS-0220062

Structure of 68502-37-4

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General Information

  • CAS No. 68502-37-4
  • Cat. No. CS-0220062
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂N₂O₄
  • Molecular Weight 272.26
  • Synonym(s) 4-BENZYLAMINO-3-NITRO-BENZOIC ACID
  • SMILES C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Journal of Medicinal Chemistry, , vol. 49, # 4 p. 1227 - 1230

Safety Information

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

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Computational Chemistry Data

  • TPSA   92.47
  • LogP   2.9051
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   5

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