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CS-W001157 4
Total: USD 88.00

2-(Propylamino)benzoic acid

  • CAS No. 21716-81-4

  • Cat. No. CS-0297925
  • Molecule weight179.22
  • Purity95+%
  • MDL No.None

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

2-(Propylamino)benzoic acid|CS-0297925

Structure of 21716-81-4

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General Information

  • CAS No. 21716-81-4
  • Cat. No. CS-0297925
  • 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) o-Propylaminobenzoesaeure
  • SMILES CCCNC1=CC=CC=C1C(=O)O

Synthesis

  • Route1

    References

    • Liu, Xiaowei; Fu, Hua; Jiang, Yuyang; Zhao, Yufen Angewandte Chemie - International Edition, 2009 , vol. 48, # 2 p. 348 - 351
  • Route2

    References

    • Zeng, Liang; Fu, Hua; Qiao, Renzhong; Jiang, Yuyang; Zhao, Yufen Advanced Synthesis and Catalysis, 2009 , vol. 351, # 10 p. 1671 - 1676
  • Route3
    • null|null
      107-10-8
    • 2-Chlorobenzoic acid Mesalazine  Impurity|CS-0229161
      118-91-2
    • ~82%
    • 2-(Propylamino)benzoic acid|CS-0297925
      21716-81-4

    References

    • Docampo, Maite L.; Pellon, Rolando F.; Estevez-Braun, Ana; Ravelo, Angel G. European Journal of Organic Chemistry, 2007 , # 24 p. 4111 - 4115

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

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Computational Chemistry Data

  • TPSA   49.33
  • LogP   2.2067
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   4

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