ChemSpider 2D Image | N-{3-Bromo-5-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-2-methyl-2-propanamine | C21H28BrNO2

N-{3-Bromo-5-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-2-methyl-2-propanamine

  • Molecular FormulaC21H28BrNO2
  • Average mass406.357 Da
  • Monoisotopic mass405.130341 Da
  • ChemSpider ID21536355

More details:

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

Benzenemethanamine, 3-bromo-N-(1,1-dimethylethyl)-5-ethoxy-4-[(4-methylphenyl)methoxy]- [ACD/Index Name]
N-{3-Brom-5-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-2-methyl-2-propanamin [German] [ACD/IUPAC Name]
N-{3-Bromo-5-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-2-methyl-2-propanamine [ACD/IUPAC Name]
N-{3-Bromo-5-éthoxy-4-[(4-méthylbenzyl)oxy]benzyl}-2-méthyl-2-propanamine [French] [ACD/IUPAC Name]
({3-BROMO-5-ETHOXY-4-[(4-METHYLPHENYL)METHOXY]PHENYL}METHYL)(TERT-BUTYL)AMINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 468.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.2±27.3 °C
Index of Refraction: 1.553
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 12.97
ACD/KOC (pH 5.5): 32.29
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 350.80
ACD/KOC (pH 7.4): 873.40
Polar Surface Area: 30 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 338.3±3.0 cm3

Click to predict properties on the Chemicalize site


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