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6-(2,3,3-Trimethyl-3H-indol-1-ium-1-yl)hexanoate hydrobromide

  • CAS No. 171429-43-9

  • Cat. No. CS-0182953
  • Purity≥95%
  • MDL No.MFCD02063103

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

6-(2,3,3-Trimethyl-3H-indol-1-ium-1-yl)hexanoate hydrobromide|CS-0182953

Structure of 171429-43-9

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General Information

  • CAS No. 171429-43-9
  • Cat. No. CS-0182953
  • Purity ≥95%
  • MDL No. MFCD02063103
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₄BrNO₂
  • Molecular Weight 354.29
  • Synonym(s) None
  • SMILES [Br-].O=C(O)CCCCC[N+]=1C=2C=CC=CC2C(C1C)(C)C

Synthesis

  • Route1

    References

    • Kienzler, Andrea Altevogt Nee; Flehr, Roman; Gehne, Soeren; Kumke, Michael U.; Bannwarth, Willi Helvetica Chimica Acta, 2012 , vol. 95, # 4 p. 543 - 555

Safety Information

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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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.9709
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   6

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