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5,5-Dimethyl-3-((3-nitrophenyl)amino)cyclohex-2-en-1-one

  • CAS No. 61997-86-2

  • Cat. No. CS-0319712
  • Molecule weight260.29
  • Purity95+%
  • MDL No.None

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

5,5-Dimethyl-3-((3-nitrophenyl)amino)cyclohex-2-en-1-one|CS-0319712

Structure of 61997-86-2

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General Information

  • CAS No. 61997-86-2
  • Cat. No. CS-0319712
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆N₂O₃
  • Molecular Weight 260.29
  • Synonym(s) 5,5-Dimethyl-3-[(3-nitrophenyl)amino]cyclohex-2-en-1-one
  • SMILES CC1(C)CC(=CC(=O)C1)NC2=CC(=CC=C2)[N+](=O)[O-]

Synthesis

  • Route1

    References

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

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H317-H319-H335
Precautionary Statements : P261-P264-P271-P272-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   72.24
  • LogP   3.2797
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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