Cas no 1335307-91-9 ((2S)-1-(5-fluoropyridin-3-yl)propan-2-amine)

(2S)-1-(5-fluoropyridin-3-yl)propan-2-amine structure
1335307-91-9 structure
Product Name:(2S)-1-(5-fluoropyridin-3-yl)propan-2-amine
CAS No:1335307-91-9
MF:C8H11FN2
MW:154.184745073318
CID:5869099
PubChem ID:97053011
Update Time:2024-01-15

(2S)-1-(5-fluoropyridin-3-yl)propan-2-amine Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridineethanamine, 5-fluoro-a-methyl-, (aS)-
    • 3-Pyridineethanamine, 5-fluoro-α-methyl-, (αS)-
    • (2S)-1-(5-fluoropyridin-3-yl)propan-2-amine
    • 1335307-91-9
    • EN300-2006709
    • Inchi: 1S/C8H11FN2/c1-6(10)2-7-3-8(9)5-11-4-7/h3-6H,2,10H2,1H3/t6-/m0/s1
    • InChI Key: YVEZLFZRDMKADG-LURJTMIESA-N
    • SMILES: C1=NC=C(F)C=C1C[C@H](C)N

Computed Properties

  • Exact Mass: 154.09062652g/mol
  • Monoisotopic Mass: 154.09062652g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 119
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 38.9?2

Experimental Properties

  • Density: 1.099±0.06 g/cm3(Predicted)
  • Boiling Point: 222.4±25.0 °C(Predicted)
  • pka: 8.97±0.10(Predicted)

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