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CS-W001157 4
Total: USD 88.00

2-(4-Methylbenzamido)acetic acid

  • CAS No. 27115-50-0

  • Cat. No. CS-0137678
  • Purity≥95%
  • MDL No.MFCD00020449

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

2-(4-Methylbenzamido)acetic acid|CS-0137678

Structure of 27115-50-0

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General Information

  • CAS No. 27115-50-0
  • Cat. No. CS-0137678
  • Purity ≥95%
  • MDL No. MFCD00020449
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₃
  • Molecular Weight 193.20
  • Synonym(s) 4-Methylhippuric acid; N-(p-toluoyl)glycine
  • SMILES O=C(O)CNC(C1=CC=C(C)C=C1)=O

Description

4-Methylhippuric acid is the major metabolite of xylene and has been determined in urine by gas chromatography.

Synthesis

  • Route1
    • N-(2-hydroxyethyl)-4-methylbenzamide|CS-0327367
      42469-26-1
    • ~82%
    • In-stock
      2-(4-Methylbenzamido)acetic acid|CS-0137678
      27115-50-0

    References

    • Barati, Behjat; Moghadam, Majid; Rahmati, Abbas; Tangestaninejad, Shahram; Mirkhani, Valiollah; Mohammadpoor-Baltork, Iraj Synlett, 2013 , vol. 24, # 1 p. 90 - 96
  • Route2
    • null|null
      874-60-2
    • Glycine, 99%|CS-1269057
      56-40-6
    • ~%
    • In-stock
      2-(4-Methylbenzamido)acetic acid|CS-0137678
      27115-50-0

    References

    • DeRuiter, Jack; Swearingen, Blake E.; Wandrekar, Vinay; Mayfield, Charles A. Journal of Medicinal Chemistry, 1989 , vol. 32, # 5 p. 1033 - 1038
  • Route3

    References

    • DeRuiter, Jack; Swearingen, Blake E.; Wandrekar, Vinay; Mayfield, Charles A. Journal of Medicinal Chemistry, 1989 , vol. 32, # 5 p. 1033 - 1038

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

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   0.80942
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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