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CS-W001157 4
Total: USD 88.00

5,5-Dimethyl-3-[(phenylmethyl)amino]-2-cyclohexen-1-one

  • CAS No. 889-31-6

  • Cat. No. CS-0219573
  • Purity95+%
  • MDL No.None

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

5,5-Dimethyl-3-[(phenylmethyl)amino]-2-cyclohexen-1-one|CS-0219573

Structure of 889-31-6

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General Information

  • CAS No. 889-31-6
  • Cat. No. CS-0219573
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₉NO
  • Molecular Weight 229.32
  • Synonym(s) 3-(Benzylamino)-5,5-dimethylcyclohex-2-en-1-one
  • SMILES CC1(C)CC(=CC(=O)C1)NCC2=CC=CC=C2

Synthesis

  • Route1

    References

    • Chanda, Kaushik; Dutta, Milan Chandra; Vishwakarma Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2004 , vol. 43, # 11 p. 2475 - 2477
  • Route2
    • null|null
      3471-13-4
    • null|null
      100-46-9
    • ~87%
    • 5,5-Dimethyl-3-[(phenylmethyl)amino]-2-cyclohexen-1-one|CS-0219573
      889-31-6

    References

    • Amougay, Aicha; Pete, Jean-Pierre; Piva, Olivier Bulletin de la Societe Chimique de France, 1996 , vol. 133, # 6 p. 625 - 635
  • Route3
    • null|null
      19419-24-0
    • null|null
      100-46-9
    • ~41%
    • 5,5-Dimethyl-3-[(phenylmethyl)amino]-2-cyclohexen-1-one|CS-0219573
      889-31-6

    References

    • Nikolaeva; Shchekotikhin; Ponomarev; Kriven'ko Chemistry of Heterocyclic Compounds, 2000 , vol. 36, # 4 p. 403 - 409

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-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   3.0492
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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