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CS-W001157 4
Total: USD 88.00

3-[(2-Nitrophenyl)amino]propanoic acid

  • CAS No. 38584-58-6

  • Cat. No. CS-0206957
  • Molecule weight210.19
  • Purity≥98%
  • MDL No.MFCD00622922

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

3-[(2-Nitrophenyl)amino]propanoic acid|CS-0206957

Structure of 38584-58-6

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General Information

  • CAS No. 38584-58-6
  • Cat. No. CS-0206957
  • Purity ≥98%
  • MDL No. MFCD00622922
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O₄
  • Molecular Weight 210.19
  • Synonym(s) None
  • SMILES C1=CC=C(C(=C1)NCCC(=O)O)[N+](=O)[O-]

Synthesis

  • Route1
    • 3-((2-Nitrophenyl)amino)propanenitrile|CS-0963301
      33141-24-1
    • ~97%
    • 3-[(2-Nitrophenyl)amino]propanoic acid|CS-0206957
      38584-58-6

    References

    • Skalitzky, Donald J.; Marakovits, Joseph T.; Maegley, Karen A.; Ekker, Anne; Yu, Xiao-Hong; Hostomsky, Zdenek; Webber, Stephen E.; Eastman, Brian W.; Almassy, Robert; Li, Jianke; Curtin, Nicola J.; Newell, David R.; Calvert, A. Hilary; Griffin, Roger J.; Golding, Bernard T. Journal of Medicinal Chemistry, 2003 , vol. 46, # 2 p. 210 - 213
  • Route2
    • null|null
      88-74-4
    • ~%
    • 3-[(2-Nitrophenyl)amino]propanoic acid|CS-0206957
      38584-58-6

    References

    • Skalitzky, Donald J.; Marakovits, Joseph T.; Maegley, Karen A.; Ekker, Anne; Yu, Xiao-Hong; Hostomsky, Zdenek; Webber, Stephen E.; Eastman, Brian W.; Almassy, Robert; Li, Jianke; Curtin, Nicola J.; Newell, David R.; Calvert, A. Hilary; Griffin, Roger J.; Golding, Bernard T. Journal of Medicinal Chemistry, 2003 , vol. 46, # 2 p. 210 - 213
  • Route3

    References

    • Gresham et al. Journal of the American Chemical Society, 1951 , vol. 73, p. 3168,3171

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   92.47
  • LogP   1.4814
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   5

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