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CS-W001157 4
Total: USD 88.00

4-Butyramidobenzoic acid

  • CAS No. 99855-49-9

  • Cat. No. CS-0313765
  • Purity95+%
  • MDL No.None

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

4-Butyramidobenzoic acid|CS-0313765

Structure of 99855-49-9

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General Information

  • CAS No. 99855-49-9
  • Cat. No. CS-0313765
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₃
  • Molecular Weight 207.23
  • Synonym(s) 4-(Butyrylamino)benzoic acid
  • SMILES CCCC(=O)NC1=CC=C(C=C1)C(=O)O

Synthesis

  • Route1
    • null|null
      106-31-0
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~81%
    • 4-Butyramidobenzoic acid|CS-0313765
      99855-49-9

    References

    • Nudelman, Abraham; Gnizi, Elisheva; Katz, Yifat; Azulai, Revital; Cohen-Ohana, Mirit; Zhuk, Regina; Sampson, Sanford R; Langzam, Leah; Fibach, Eitan; Prus, Eugenia; Pugach, Victoria; Rephaeli, Ada European Journal of Medicinal Chemistry, 2001 , vol. 36, # 1 p. 63 - 74
  • Route2
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~%
    • 4-Butyramidobenzoic acid|CS-0313765
      99855-49-9

    References

    • Journal of Medicinal Chemistry, , vol. 47, # 2 p. 467 - 474
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 47, # 2 p. 467 - 474

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   2.1234
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   4

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