Cas no 886364-82-5 ( )

  structure
  structure
Product Name: 
CAS No:886364-82-5
MF:C8H9F3N2
MW:190.165672063828
MDL:MFCD07375087
CID:879205
PubChem ID:49760381
Update Time:2024-12-09

  Chemical and Physical Properties

Names and Identifiers

    • 1-[6-(trifluoromethyl)pyridin-3-yl]ethanamine
    • AB49725
    • EN300-718694
    • AB41144
    • 1-(6-(TRIFLUOROMETHYL)PYRIDIN-3-YL)ETHANAMINE
    • SCHEMBL367869
    • 1-(6-(Trifluoromethyl)pyridin-3-yl)ethan-1-amine
    • (1-[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]ETHYL)AMINE
    • 1-[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]ETHAN-1-AMINE
    • AB49721
    • J3.602.431C
    • FT-0699147
    • CS-0274905
    • Y11880
    • 886364-82-5
    • MFCD07375087
    • 1-[6-(Trifluoromethyl)-3-pyridyl]ethanamine
    • 1-(6-Trifluoromethyl-pyridin-3-yl)-ethylamine
    • AKOS006285855
    • A1-16961
    • 1-[6-(Trifluoromethyl)pyridine-3-yl]ethanamine
    • HBSGXPCKIDZNIF-UHFFFAOYSA-N
    • SY272124
    • α-Methyl-6-(trifluoromethyl)-3-pyridinemethanamine (ACI)
    • 1-(6-Trifluoromethylpyridin-3-yl)ethylamine
    • MFCD09256747
    • (R)-1-[6-(Trifluoromethyl)-3-pyridyl]ethanamine
    • DB-289615
    • (1S)-1-[6-(trifluoromethyl)-3-pyridyl]ethanamine
    • (S)-1-[6-(Trifluoromethyl)-3-pyridyl]ethanamine
    • SY222621
    • SY222236
    • MFCD09256746
    •  
    • MDL: MFCD07375087
    • Inchi: 1S/C8H9F3N2/c1-5(12)6-2-3-7(13-4-6)8(9,10)11/h2-5H,12H2,1H3
    • InChI Key: HBSGXPCKIDZNIF-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(C(C)N)=CN=1)(F)F

Computed Properties

  • Exact Mass: 190.07200
  • Monoisotopic Mass: 190.07178278g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 169
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 38.9?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 224.3±35.0 °C at 760 mmHg
  • Flash Point: 89.5±25.9 °C
  • PSA: 38.91000
  • LogP: 2.82040
  • Vapor Pressure: 0.1±0.4 mmHg at 25°C

  Security Information

  Pricemore >>

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  Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Ammonium acetate ,  Sodium cyanoborohydride Solvents: Methanol ;  14 h, rt
Reference
Asymmetric Biocatalytic Synthesis of Fluorinated Pyridines through Transesterification or Transamination: Computational Insights into the Reactivity of Transaminases
Lopez-Iglesias, Maria; Gonzalez-Martinez, Daniel; Rodriguez-Mata, Maria; Gotor, Vicente; Busto, Eduardo; et al, Advanced Synthesis & Catalysis, 2017, 359(2), 279-291

  Raw materials

  Preparation Products

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