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CS-W001157 4
Total: USD 88.00

3-((3,5-Dimethylphenyl)amino)-3-oxopropanoic acid

  • CAS No. 95262-05-8

  • Cat. No. CS-0365431
  • Purity95+%
  • MDL No.None

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

3-((3,5-Dimethylphenyl)amino)-3-oxopropanoic acid|CS-0365431

Structure of 95262-05-8

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General Information

  • CAS No. 95262-05-8
  • Cat. No. CS-0365431
  • 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) 3-[(3,5-Dimethylphenyl)amino]-3-oxopropanoic acid
  • SMILES CC1=CC(C)=CC(NC(CC(O)=O)=O)=C1

Synthesis

  • Route1
    • Ethyl 2-[(3,5-dimethylphenyl)carbamoyl]acetate|CS-0770127
      104330-56-5
    • ~%
    • 3-((3,5-Dimethylphenyl)amino)-3-oxopropanoic acid|CS-0365431
      95262-05-8

    References

    • Cai, Sui Xiong; Zhou, Zhang-Lin; Huang, Jin-Cheng; Whittemore, Edward R.; Egbuwoku, Zizi O.; Lue, Yixin; Hawkinson, Jon E.; Woodward, Richard M.; Weber, Eckard; Keana, John F. W. Journal of Medicinal Chemistry, 1996 , vol. 39, # 17 p. 3248 - 3255
  • Route2
    • null|null
      108-69-0
    • ~%
    • 3-((3,5-Dimethylphenyl)amino)-3-oxopropanoic acid|CS-0365431
      95262-05-8

    References

    • Cai, Sui Xiong; Zhou, Zhang-Lin; Huang, Jin-Cheng; Whittemore, Edward R.; Egbuwoku, Zizi O.; Lue, Yixin; Hawkinson, Jon E.; Woodward, Richard M.; Weber, Eckard; Keana, John F. W. Journal of Medicinal Chemistry, 1996 , vol. 39, # 17 p. 3248 - 3255

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

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   1.71664
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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