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CS-W001157 4
Total: USD 88.00

3-(1H-Indol-1-yl)propanoic acid

  • CAS No. 6639-06-1

  • Cat. No. CS-W005359
  • Molecule weight189.21
  • Purity≥95%
  • MDL No.MFCD00022896

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

3-(1H-Indol-1-yl)propanoic acid|CS-W005359

Structure of 6639-06-1

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General Information

  • CAS No. 6639-06-1
  • Cat. No. CS-W005359
  • Purity ≥95%
  • MDL No. MFCD00022896
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) 1-INDOLEPROPIONIC ACID
  • SMILES O=C(O)CCN1C=CC2=C1C=CC=C2

Synthesis

  • Route1

    References

    • GRUeNENTHAL GMBH Patent: WO2004/43899 A1, 2004 ; Location in patent: Page 37; 38 ;
  • Route2
    • null|null
      76916-49-9
    • ~36%
    • 3-(1H-Indol-1-yl)propanoic acid|CS-W005359
      6639-06-1

    References

    • Hegedus, Louis S.; Winton, Peter M.; Varaprath Sudarsanan Journal of Organic Chemistry, 1981 , vol. 46, # 11 p. 2215 - 2221
  • Route3
    • null|null
      221687-62-3
    • ~%
    • 3-(1H-Indol-1-yl)propanoic acid|CS-W005359
      6639-06-1

    References

    • Pang, Yuan-Ping; Miller, Jennifer L.; Kollman, Peter A. Journal of the American Chemical Society, 1999 , vol. 121, # 8 p. 1717 - 1725

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

Quality Control

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Computational Chemistry Data

  • TPSA   42.23
  • LogP   2.116
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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