ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(diethoxyphosphoryl)(phenyl)methyl]-1,4-diazepane-1-carboxylate | C21H35N2O5P

2-Methyl-2-propanyl 4-[(diethoxyphosphoryl)(phenyl)methyl]-1,4-diazepane-1-carboxylate

  • Molecular FormulaC21H35N2O5P
  • Average mass426.487 Da
  • Monoisotopic mass426.228363 Da
  • ChemSpider ID74147136

More details:

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

1H-1,4-Diazepine-1-carboxylic acid, 4-[(diethoxyphosphinyl)phenylmethyl]hexahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(diethoxyphosphoryl)(phenyl)methyl]-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(diethoxyphosphoryl)(phenyl)methyl]-1,4-diazepan-1-carboxylat [German] [ACD/IUPAC Name]
4-[(Diéthoxyphosphoryl)(phényl)méthyl]-1,4-diazépane-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 507.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.6±30.1 °C
Index of Refraction: 1.514
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 138.49
ACD/KOC (pH 5.5): 1168.32
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 146.30
ACD/KOC (pH 7.4): 1234.24
Polar Surface Area: 78 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 375.4±3.0 cm3

Click to predict properties on the Chemicalize site


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