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

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

  • Molecular FormulaC21H28BrNO2
  • Average mass406.357 Da
  • Monoisotopic mass405.130341 Da
  • ChemSpider ID21536499

More details:

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

Benzenemethanamine, 3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]-N-(1-methylpropyl)- [ACD/Index Name]
N-{3-Brom-5-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-2-butanamin [German] [ACD/IUPAC Name]
N-{3-Bromo-5-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-2-butanamine [ACD/IUPAC Name]
N-{3-Bromo-5-éthoxy-4-[(4-méthylbenzyl)oxy]benzyl}-2-butanamine [French] [ACD/IUPAC Name]
({3-BROMO-5-ETHOXY-4-[(4-METHYLPHENYL)METHOXY]PHENYL}METHYL)(BUTAN-2-YL)AMINE
({3-BROMO-5-ETHOXY-4-[(4-METHYLPHENYL)METHOXY]PHENYL}METHYL)(SEC-BUTYL)AMINE
[3-Bromo-5-ethoxy-4-(4-methyl-benzyloxy)-benzyl]-sec-butyl-amine
N-{3-bromo-5-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}butan-2-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: 473.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.9±27.3 °C
Index of Refraction: 1.552
Molar Refractivity: 108.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 9.63
ACD/KOC (pH 5.5): 25.19
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 198.98
ACD/KOC (pH 7.4): 520.40
Polar Surface Area: 30 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 338.6±3.0 cm3

Click to predict properties on the Chemicalize site


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