ChemSpider 2D Image | Diethyl {(1S,2Z)-1-hydroxy-4-[(2-methylphenyl)amino]-2-buten-1-yl}phosphonate | C15H24NO4P

Diethyl {(1S,2Z)-1-hydroxy-4-[(2-methylphenyl)amino]-2-buten-1-yl}phosphonate

  • Molecular FormulaC15H24NO4P
  • Average mass313.329 Da
  • Monoisotopic mass313.144287 Da
  • ChemSpider ID30659251

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{(1S,2Z)-1-Hydroxy-4-[(2-méthylphényl)amino]-2-butén-1-yl}phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {(1S,2Z)-1-hydroxy-4-[(2-methylphenyl)amino]-2-buten-1-yl}phosphonate [ACD/IUPAC Name]
Diethyl-{(1S,2Z)-1-hydroxy-4-[(2-methylphenyl)amino]-2-buten-1-yl}phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(1S,2Z)-1-hydroxy-4-[(2-methylphenyl)amino]-2-buten-1-yl]-, diethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 487.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 248.8±28.7 °C
Index of Refraction: 1.545
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.43
ACD/KOC (pH 5.5): 222.71
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.59
ACD/KOC (pH 7.4): 225.30
Polar Surface Area: 78 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 269.1±3.0 cm3

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