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CS-W001157 4
Total: USD 88.00

α,α-Dimethyl-1H-indole-3-acetonitrile

  • CAS No. 23078-29-7

  • Cat. No. CS-0002151
  • Purity≥98%
  • MDL No.MFCD11616221

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

α,α-Dimethyl-1H-indole-3-acetonitrile|CS-0002151

Structure of 23078-29-7

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General Information

  • CAS No. 23078-29-7
  • Cat. No. CS-0002151
  • Purity ≥98%
  • MDL No. MFCD11616221
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂N₂
  • Molecular Weight 184.24
  • Synonym(s) 2-(1H-indol-3-yl)-2-methylpropanenitrile
  • SMILES N#CC(C)(C)C1=CNC2=C1C=CC=C2

Synthesis

  • Route1
    • tert-Butyl 3-(2-cyanopropan-2-yl)-1H-indole-1-carboxylate|CS-B0467
      380626-46-0
    • ~73%
    • α,α-Dimethyl-1H-indole-3-acetonitrile|CS-0002151
      23078-29-7

    References

    • BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. Patent: WO2004/19935 A1, 2004 ; Location in patent: Page/Page column 67 ; WO 2004/019935 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.72
  • LogP   2.5528
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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