Cas no 1073372-18-5 (Bis((5-fluoropyridin-3-yl)methyl)amine)

Bis((5-fluoropyridin-3-yl)methyl)amine is a fluorinated pyridine derivative characterized by its bifunctional structure, featuring two 5-fluoropyridin-3-ylmethyl groups linked to a central amine. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile intermediate for synthesizing biologically active molecules. The presence of fluorine enhances metabolic stability and binding affinity in target interactions, while the amine group provides a reactive site for further functionalization. Its well-defined structure and high purity make it suitable for applications in medicinal chemistry, particularly in the development of enzyme inhibitors or receptor modulators. The compound is typically handled under controlled conditions due to its sensitivity.
Bis((5-fluoropyridin-3-yl)methyl)amine structure
1073372-18-5 structure
Product Name:Bis((5-fluoropyridin-3-yl)methyl)amine
CAS No:1073372-18-5
MF:C12H11F2N3
MW:235.232649087906
MDL:MFCD11504984
CID:857944
PubChem ID:46739182
Update Time:2025-06-07

Bis((5-fluoropyridin-3-yl)methyl)amine Chemical and Physical Properties

Names and Identifiers

    • Bis((5-fluoropyridin-3-yl)methyl)amine
    • 1-(5-fluoropyridin-3-yl)-N-[(5-fluoropyridin-3-yl)methyl]methanamine
    • MFCD11504984
    • DTXSID60674807
    • BS-26130
    • AKOS015853230
    • J-001889
    • DB-351124
    • 1073372-18-5
    • CS-0212645
    • MDL: MFCD11504984
    • Inchi: 1S/C12H11F2N3/c13-11-1-9(5-16-7-11)3-15-4-10-2-12(14)8-17-6-10/h1-2,5-8,15H,3-4H2
    • InChI Key: KTHGMOBXEVLFKU-UHFFFAOYSA-N
    • SMILES: FC1=CN=CC(=C1)CNCC1C=NC=C(C=1)F

Computed Properties

  • Exact Mass: 235.09200
  • Monoisotopic Mass: 235.09210369g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 206
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 37.8?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 328.0±37.0 °C at 760 mmHg
  • Flash Point: 152.1±26.5 °C
  • PSA: 37.81000
  • LogP: 2.43550
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Bis((5-fluoropyridin-3-yl)methyl)amine Security Information

Bis((5-fluoropyridin-3-yl)methyl)amine Pricemore >>

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