ChemSpider 2D Image | Diethyl [diamino(sulfanyl)methyl]phosphonate | C5H15N2O3PS

Diethyl [diamino(sulfanyl)methyl]phosphonate

  • Molecular FormulaC5H15N2O3PS
  • Average mass214.223 Da
  • Monoisotopic mass214.054092 Da
  • ChemSpider ID96351769

More details:






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

[Diamino(sulfanyl)méthyl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [diamino(sulfanyl)methyl]phosphonate [ACD/IUPAC Name]
Diethyl-[diamino(sulfanyl)methyl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-(diaminomercaptomethyl)-, diethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 253.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.1±3.0 kJ/mol
Flash Point: 107.3±27.3 °C
Index of Refraction: 1.508
Molar Refractivity: 50.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.81
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.65
Polar Surface Area: 136 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 169.4±3.0 cm3

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