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CS-W001157 4
Total: USD 88.00

3-(1H-indol-3-yl)propanenitrile

  • CAS No. 4414-76-0

  • Cat. No. CS-0214627
  • Purity≥98%
  • MDL No.None

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

3-(1H-indol-3-yl)propanenitrile|CS-0214627

Structure of 4414-76-0

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General Information

  • CAS No. 4414-76-0
  • Cat. No. CS-0214627
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂
  • Molecular Weight 170.21
  • Synonym(s) 1H-Indole-3-propiononitrile
  • SMILES N#CCCC1=CNC2=C1C=CC=C2

Synthesis

  • Route1
    • Indole, ≥99%|CS-1268948
      120-72-9
    • null|null
      107-13-1
    • ~90%
    • In-stock
      3-(1H-indol-3-yl)propanenitrile|CS-0214627
      4414-76-0

    References

    • Mohammadpoor-Baltork, Iraj; Reza Memarian, Hamid; Reza Khosropour, Ahmad; Nikoofar, Kobra Heterocycles, 2006 , vol. 68, # 9 p. 1837 - 1843
  • Route2

    References

    • Black, Phillip J.; Edwards, Michael G.; Williams, Jonathan M. J. European Journal of Organic Chemistry, 2006 , # 19 p. 4367 - 4378
  • Route3
    • null|null
      59409-14-2
    • ~66%
    • In-stock
      3-(1H-indol-3-yl)propanenitrile|CS-0214627
      4414-76-0

    References

    • Pedras, M. Soledade C.; Minic, Zoran; Thongbam, Premila D.; Bhaskar, Vangala; Montaut, Sabine Phytochemistry, 2010 , vol. 71, # 17-18 p. 1952 - 1962

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   39.58
  • LogP   2.62408
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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