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CS-W001157 4
Total: USD 88.00

3-Amino-4-ethylbenzoic acid

  • CAS No. 5129-23-7

  • Cat. No. CS-0030449
  • Purity≥97%
  • MDL No.None

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

3-Amino-4-ethylbenzoic acid|CS-0030449

Structure of 5129-23-7

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General Information

  • CAS No. 5129-23-7
  • Cat. No. CS-0030449
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₂
  • Molecular Weight 165.19
  • Synonym(s) 3-Amino-4-ethylbenzoicacid
  • SMILES O=C(O)C1=CC=C(CC)C(N)=C1

Synthesis

  • Route1

    References

    • GALAPAGOS NV; MENET, Christel Jeanne Marie; SCHMITT, Benoît Antoine; GENEY, Raphaël Jean Joël; DOYLE, Kevin James; PEACH, Joanne; PALMER, Nicholas John; JONES, Graham Peter; HARDY, David; DUFFY, James Edward Stewart Patent: WO2013/117645 A1, 2013 ;
  • Route2

    References

    • Fujisawa Pharmaceutical Co., Ltd. Patent: US6348474 B1, 2002 ; Location in patent: Page column 80 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.32
  • LogP   1.5294
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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