Chemical Properties of Diethyl p-aminobenzylphosphonate (CAS 20074-79-7)

InChI

InChI=1S/C11H18NO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9,12H2,1-2H3

InChI Key

ZVAYUUUQOCPZCZ-UHFFFAOYSA-N

Formula

C11H18NO3P

SMILES

CCOP(=O)(Cc1ccc(N)cc1)OCC

Molecular Weight¹

243.24

CAS

20074-79-7

Other Names

• Diethyl 4-aminobenzylphosphonate
• 4-Amino benzyl diethyl phosphonate
• Phosphonic acid, [(4-aminophenyl)methyl]-, diethyl ester
• p-Aminobenzylphosphonic acid diethyl ester
• Phosphonic acid, p-aminobenzyl-, diethyl ester

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Diethyl p-aminobenzylphosphonate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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