ChemSpider 2D Image | (1E,2E)-3-Bromo-N-[(2R,4S,5R)-4-isopropyl-2-phenyl-1,3-dioxan-5-yl]-2-methyl-2-propen-1-imine | C17H22BrNO2

(1E,2E)-3-Bromo-N-[(2R,4S,5R)-4-isopropyl-2-phenyl-1,3-dioxan-5-yl]-2-methyl-2-propen-1-imine

  • Molecular FormulaC17H22BrNO2
  • Average mass352.266 Da
  • Monoisotopic mass351.083374 Da
  • ChemSpider ID30658662

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1E,2E)-3-Brom-N-[(2R,4S,5R)-4-isopropyl-2-phenyl-1,3-dioxan-5-yl]-2-methyl-2-propen-1-imin [German] [ACD/IUPAC Name]
(1E,2E)-3-Bromo-N-[(2R,4S,5R)-4-isopropyl-2-phenyl-1,3-dioxan-5-yl]-2-methyl-2-propen-1-imine [ACD/IUPAC Name]
(1E,2E)-3-Bromo-N-[(2R,4S,5R)-4-isopropyl-2-phényl-1,3-dioxan-5-yl]-2-méthyl-2-propén-1-imine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 429.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 213.5±28.7 °C
Index of Refraction: 1.553
Molar Refractivity: 88.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1926.80
ACD/KOC (pH 5.5): 7777.08
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1958.90
ACD/KOC (pH 7.4): 7906.67
Polar Surface Area: 31 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 36.4±7.0 dyne/cm
Molar Volume: 276.9±7.0 cm3

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