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1-[4-(2,5-Dimethyl-1h-pyrrol-1-yl)phenyl]ethanone

  • CAS No. 83935-45-9

  • Cat. No. CS-0117442
  • Molecule weight213.28
  • Purity95+%
  • MDL No.MFCD00051816

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

1-[4-(2,5-Dimethyl-1h-pyrrol-1-yl)phenyl]ethanone|CS-0117442

Structure of 83935-45-9

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General Information

  • CAS No. 83935-45-9
  • Cat. No. CS-0117442
  • Purity 95+%
  • MDL No. MFCD00051816
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅NO
  • Molecular Weight 213.28
  • Synonym(s) 1-(4-Acetylphenyl)-2,5-dimethylpyrrole
  • SMILES CC(C1=CC=C(N2C(C)=CC=C2C)C=C1)=O

Synthesis

  • Route1

    References

    • More, Uttam A.; Joshi, Shrinivas D.; Aminabhavi, Tejraj M.; Gadad, Andanappa K.; Nadagouda, Mallikarjuna N.; Kulkarni, Venkatrao H. European Journal of Medicinal Chemistry, 2014 , vol. 71, p. 199 - 218
  • Route2

    References

    • Bruekelman, Stephen P.; Leach, (Miss) Susan E.; Meakins, G. Denis; Tirel, Malcolm D. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984 , p. 2801 - 2807
  • Route3

    References

    • Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 2801 - 2807

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   22
  • LogP   3.29674
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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