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1-(3-(Trifluoromethyl)pyridin-2-yl)-1,4-diazepane

  • CAS No. 243666-15-1

  • Cat. No. CS-0464902
  • Molecule weight245.24
  • Purity≥98%
  • MDL No.MFCD00661817

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

1-(3-(Trifluoromethyl)pyridin-2-yl)-1,4-diazepane|CS-0464902

Structure of 243666-15-1

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General Information

  • CAS No. 243666-15-1
  • Cat. No. CS-0464902
  • Purity ≥98%
  • MDL No. MFCD00661817
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄F₃N₃
  • Molecular Weight 245.24
  • Synonym(s) 1-[3-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane
  • SMILES C1=CC(=C(N=C1)N2CCCNCC2)C(F)(F)F

Synthesis

  • Route1

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2007/122411 A1, 2007 ; Location in patent: Page/Page column 28 ; WO 2007/122411 A1

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3267
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   28.16
  • LogP   1.9001
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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