Cas no 77047-42-8 (Phosphonic acid, (4-pyridinylmethyl)-, diethyl ester)

Phosphonic acid, (4-pyridinylmethyl)-, diethyl ester structure
77047-42-8 structure
Product Name:Phosphonic acid, (4-pyridinylmethyl)-, diethyl ester
CAS No:77047-42-8
MF:C10H16NO3P
MW:229.212703704834
MDL:MFCD06797640
CID:1786506
PubChem ID:10078602
Update Time:2025-09-22

Phosphonic acid, (4-pyridinylmethyl)-, diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, (4-pyridinylmethyl)-, diethyl ester
    • Diethyl (pyridin-4-ylmethyl)phosphonate
    • diethyl pyridin-4-ylmethylphosphonate
    • pyridin-4-ylmethylphosphonic acid diethyl ester
    • 4-(diethoxyphosphorylmethyl)pyridine
    • 77047-42-8
    • DB-351182
    • DIETHYL (4-PYRIDINEMETHYL) PHOSPHONATE
    • MFCD06797640
    • AKOS017343414
    • IHGJNTGEJAJEKD-UHFFFAOYSA-N
    • DIETHYL [(4-PYRIDINYL)METHYL)]PHOSPHONATE
    • SCHEMBL3658477
    • 4-(diethylphosphonomethyl)pyridine
    • diethyl [(pyridin-4-yl)methyl]phosphonate
    • MDL: MFCD06797640
    • Inchi: 1S/C10H16NO3P/c1-3-13-15(12,14-4-2)9-10-5-7-11-8-6-10/h5-8H,3-4,9H2,1-2H3
    • InChI Key: IHGJNTGEJAJEKD-UHFFFAOYSA-N
    • SMILES: P(CC1C=CN=CC=1)(=O)(OCC)OCC

Computed Properties

  • Exact Mass: 229.08688
  • Monoisotopic Mass: 229.08678037g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 207
  • 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: 0.6
  • Topological Polar Surface Area: 48.4?2

Experimental Properties

  • Density: 1.135±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Dissolution (39 g/l) (25 o C),
  • PSA: 48.42

Phosphonic acid, (4-pyridinylmethyl)-, diethyl ester Pricemore >>

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