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CS-W001157 4
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5,5-Dimethyl-3-(phenylamino)cyclohex-2-en-1-one

  • CAS No. 18940-21-1

  • Cat. No. CS-0318362
  • Molecule weight215.29
  • Purity≥97%
  • MDL No.None

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

5,5-Dimethyl-3-(phenylamino)cyclohex-2-en-1-one|CS-0318362

Structure of 18940-21-1

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General Information

  • CAS No. 18940-21-1
  • Cat. No. CS-0318362
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₇NO
  • Molecular Weight 215.29
  • Synonym(s) 3-anilino-5,5-dimethyl-2-cyclohexen-1-one
  • SMILES CC1(C)CC(=CC(=O)C1)NC2=CC=CC=C2

Synthesis

  • Route1

    References

    • Siddiqui, Zeba N.; Khan, Kulsum; Ahmed, Nayeem Catalysis Letters, 2014 , vol. 144, # 4 p. 623 - 632
  • Route2

    References

    • Edmondson, Scott D.; Mastracchio, Anthony; Parmee, Emma R. Organic Letters, 2000 , vol. 2, # 8 p. 1109 - 1112
  • Route3

    References

    • Edmondson, Scott D.; Mastracchio, Anthony; Parmee, Emma R. Organic Letters, 2000 , vol. 2, # 8 p. 1109 - 1112

Safety Information

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GHS Pictogram : N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   3.3715
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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