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2-Acetamido-3-(5-methyl-1H-indol-3-yl)propanoic acid

  • CAS No. 71953-90-7

  • Cat. No. CS-0104762
  • Molecule weight260.29
  • Purity≥98%
  • MDL No.MFCD00055984

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

2-Acetamido-3-(5-methyl-1H-indol-3-yl)propanoic acid|CS-0104762

Structure of 71953-90-7

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General Information

  • CAS No. 71953-90-7
  • Cat. No. CS-0104762
  • Purity ≥98%
  • MDL No. MFCD00055984
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆N₂O₃
  • Molecular Weight 260.29
  • Synonym(s) N-Acetyl-5-Methyl-DL-Tryptophan
  • SMILES O=C(O)C(CC1=CNC2=C1C=C(C)C=C2)NC(C)=O

Synthesis

  • Route1
    • Diethyl 2-acetamido-2-((5-methyl-1H-indol-3-yl)methyl)malonate|CS-0109639
      114872-67-2
    • ~%
    • 2-Acetamido-3-(5-methyl-1H-indol-3-yl)propanoic acid|CS-0104762
      71953-90-7

    References

    • Snyder et al. Journal of the American Chemical Society, 1953 , vol. 75, p. 1873,1876

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   82.19
  • LogP   1.60812
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   4

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