ChemSpider 2D Image | 2-{[(2R)-4-Benzyl-2-morpholinyl]methyl}-1H-isoindole-1,3(2H)-dione | C20H20N2O3

2-{[(2R)-4-Benzyl-2-morpholinyl]methyl}-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC20H20N2O3
  • Average mass336.384 Da
  • Monoisotopic mass336.147400 Da
  • ChemSpider ID58172633
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Isoindole-1,3(2H)-dione, 2-[[(2R)-4-(phenylmethyl)-2-morpholinyl]methyl]- [ACD/Index Name]
2-{[(2R)-4-Benzyl-2-morpholinyl]methyl}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{[(2R)-4-Benzyl-2-morpholinyl]methyl}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{[(2R)-4-Benzyl-2-morpholinyl]méthyl}-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
186202-54-0 [RN]
474020-88-7 [RN]
MFCD14635767
MFCD30491819
tert-Butyl methyl(4-nitrophenyl)carbamate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 481.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.8±23.2 °C
Index of Refraction: 1.626
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 8.14
ACD/KOC (pH 5.5): 91.01
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 50.75
ACD/KOC (pH 7.4): 567.28
Polar Surface Area: 50 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 263.1±3.0 cm3

Click to predict properties on the Chemicalize site






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