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CS-W001157 4
Total: USD 88.00

4-Amino-4-phenylcyclohexan-1-one

  • CAS No. 95261-39-5

  • Cat. No. CS-0058302
  • Molecule weight189.25
  • Purity≥97%
  • MDL No.None

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

4-Amino-4-phenylcyclohexan-1-one|CS-0058302

Structure of 95261-39-5

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General Information

  • CAS No. 95261-39-5
  • Cat. No. CS-0058302
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO
  • Molecular Weight 189.25
  • Synonym(s) 4-aMino-4-phenylcyclohexanone
  • SMILES C1CC(CCC1=O)(C2=CC=CC=C2)N

Synthesis

  • Route1
    • null|null
      861857-71-8
    • ~%
    • 4-Amino-4-phenylcyclohexan-1-one|CS-0058302
      95261-39-5

    References

    • Zhang, Xuqing; Hufnagel, Heather Rae; Hou, Cuifen; Johnson, Dana L.; Sui, Zhihua Patent: US2010/267689 A1, 2010 ; Location in patent: Page/Page column 94 ;
  • Route2
    • 4-Oxo-1-phenylcyclohexane-1-carboxylic acid|CS-0455578
      75945-91-4
    • ~%
    • 4-Amino-4-phenylcyclohexan-1-one|CS-0058302
      95261-39-5

    References

    • Elliott, Jason M; Castro, Jose L; Chicchi, Gary G; Cooper, Laura C; Dinnell, Kevin; Hollingworth, Gregory J; Ridgill, Mark P; Rycroft, Wayne; Kurtz, Marc M; Shaw, Duncan E; Swain, Christopher J; Tsao, Kwei-Lan; Yang, Lihu Bioorganic and medicinal chemistry letters, 2002 , vol. 12, # 13 p. 1755 - 1758
  • Route3

    References

    • Zhang, Xuqing; Hufnagel, Heather; Markotan, Thomas; Lanter, James; Cai, Chaozhong; Hou, Cuifen; Singer, Monica; Opas, Evan; McKenney, Sandra; Crysler, Carl; Johnson, Dana; Sui, Zhihua Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 18 p. 5577 - 5582

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

Quality Control

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   1.9837
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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