ChemSpider 2D Image | N-{3-Bromo-5-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-2-methoxyethanamine | C20H26BrNO3

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

  • Molecular FormulaC20H26BrNO3
  • Average mass408.329 Da
  • Monoisotopic mass407.109589 Da
  • ChemSpider ID21536630

More details:

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

Benzenemethanamine, 3-bromo-5-ethoxy-N-(2-methoxyethyl)-4-[(4-methylphenyl)methoxy]- [ACD/Index Name]
N-{3-Brom-5-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-2-methoxyethanamin [German] [ACD/IUPAC Name]
N-{3-Bromo-5-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-2-methoxyethanamine [ACD/IUPAC Name]
N-{3-Bromo-5-éthoxy-4-[(4-méthylbenzyl)oxy]benzyl}-2-méthoxyéthanamine [French] [ACD/IUPAC Name]
({3-BROMO-5-ETHOXY-4-[(4-METHYLPHENYL)METHOXY]PHENYL}METHYL)(2-METHOXYETHYL)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: 478.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 243.0±27.3 °C
Index of Refraction: 1.556
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 22.46
ACD/KOC (pH 5.5): 81.54
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1032.42
ACD/KOC (pH 7.4): 3748.34
Polar Surface Area: 40 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 328.1±3.0 cm3

Click to predict properties on the Chemicalize site


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