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CS-W001157 4
Total: USD 88.00

2-(1-Methyl-1H-indol-3-yl)acetonitrile

  • CAS No. 51584-17-9

  • Cat. No. CS-0019211
  • Purity≥97%
  • MDL No.MFCD09038157

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

2-(1-Methyl-1H-indol-3-yl)acetonitrile|CS-0019211

Structure of 51584-17-9

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General Information

  • CAS No. 51584-17-9
  • Cat. No. CS-0019211
  • Purity ≥97%
  • MDL No. MFCD09038157
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂
  • Molecular Weight 170.21
  • Synonym(s) 1-Methylindole-3-acetonitrile
  • SMILES N#CCC1=CN(C)C2=C1C=CC=C2

Synthesis

  • Route1

    References

    • Pierce, Larry T.; Cahill, Michael M.; McCarthy, Florence O. Tetrahedron, 2011 , vol. 67, # 25 p. 4601 - 4611
  • Route2

    References

    • Hoffmann-La Roche Inc. Patent: US6326501 B1, 2001 ;
  • Route3

    References

    • Jiang, Xinglong; Tiwari, Ashish; Thompson, Maethonia; Chen, Zhihong; Cleary, Thomas P.; Lee, Thomas B. K. Organic Process Research and Development, 2001 , vol. 5, # 6 p. 604 - 608

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   28.72
  • LogP   2.24438
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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