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CS-W001157 4
Total: USD 88.00

3-Acetamido-4-methylbenzoic acid

  • CAS No. 6946-14-1

  • Cat. No. CS-0038381
  • Purity≥97%
  • MDL No.None

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

3-Acetamido-4-methylbenzoic acid|CS-0038381

Structure of 6946-14-1

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General Information

  • CAS No. 6946-14-1
  • Cat. No. CS-0038381
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₃
  • Molecular Weight 193.20
  • Synonym(s) NSC 53196
  • SMILES CC1=C(C=C(C=C1)C(=O)O)N=C(C)O

Synthesis

  • Route1
    • 3-Amino-4-methylbenzoic acid Nilotinib Impurity|CS-0229206
      2458-12-0
    • null|null
      108-24-7
    • ~99%
    • 3-Acetamido-4-methylbenzoic acid|CS-0038381
      6946-14-1

    References

    • Clews, John; Curtis, Anthony D.M.; Malkin, Hugh Tetrahedron, 2000 , vol. 56, # 44 p. 8735 - 8746
  • Route2
    • 3-Amino-4-methylbenzoic acid Nilotinib Impurity|CS-0229206
      2458-12-0
    • ~75%
    • 3-Acetamido-4-methylbenzoic acid|CS-0038381
      6946-14-1

    References

    • Randall, Jared Lynn; Gibbs, Richard Alan; Bosch, Gregory Kent; Curtis, Michael David; Sun, Li; Nikolaides, Nicholas Patent: US2004/167194 A1, 2004 ; Location in patent: Page 23 ;
  • Route3

    References

    • Journal of the Indian Chemical Society, , vol. 33, p. 129

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   69.89
  • LogP   2.30112
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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