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CS-W001157 4
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3-(1-Methyl-1H-indol-3-yl)-3-oxopropanenitrile

  • CAS No. 343778-74-5

  • Cat. No. CS-0451383
  • Molecule weight198.22
  • Purity≥98%
  • MDL No.None

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

3-(1-Methyl-1H-indol-3-yl)-3-oxopropanenitrile|CS-0451383

Structure of 343778-74-5

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General Information

  • CAS No. 343778-74-5
  • Cat. No. CS-0451383
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀N₂O
  • Molecular Weight 198.22
  • Synonym(s) 3-(CYANOACETYL)-1-METHYLINDOLE
  • SMILES CN1C=C(C2=CC=CC=C21)C(=O)CC#N

Synthesis

  • Route1

    References

    • Slaett, Johnny; Romero, Ivan; Bergman, Jan Synthesis, 2004 , # 16 p. 2760 - 2765
  • Route2
    • Indole, ≥99%|CS-1268948
      120-72-9
    • ~%
    • 3-(1-Methyl-1H-indol-3-yl)-3-oxopropanenitrile|CS-0451383
      343778-74-5

    References

    • Ke, Shaoyong; Yang, Ziwen; Zhang, Zhigang; Liang, Ying; Wang, Kaimei; Liu, Manli; Shi, Liqiao Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 8 p. 1907 - 1911

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   45.79
  • LogP   2.27468
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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