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3-((4-Fluorophenyl)amino)-5,5-dimethylcyclohex-2-en-1-one

  • CAS No. 100445-51-0

  • Cat. No. CS-0318934
  • Molecule weight233.28
  • Purity≥97%
  • MDL No.None

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

3-((4-Fluorophenyl)amino)-5,5-dimethylcyclohex-2-en-1-one|CS-0318934

Structure of 100445-51-0

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General Information

  • CAS No. 100445-51-0
  • Cat. No. CS-0318934
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆FNO
  • Molecular Weight 233.28
  • Synonym(s) 3-[(4-Fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
  • SMILES CC1(C)CC(=CC(=O)C1)NC2=CC=C(C=C2)F

Synthesis

  • Route1

    References

    • Journal of the Korean Chemical Society, , vol. 54, # 6 p. 723 - 726

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

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   3.5106
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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