ChemSpider 2D Image | N-(2-Bromo-4,5-dimethoxybenzyl)-1-(1-naphthyl)ethanamine | C21H22BrNO2

N-(2-Bromo-4,5-dimethoxybenzyl)-1-(1-naphthyl)ethanamine

  • Molecular FormulaC21H22BrNO2
  • Average mass400.309 Da
  • Monoisotopic mass399.083374 Da
  • ChemSpider ID22549448

More details:

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

1-Naphthalenemethanamine, N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-α-methyl- [ACD/Index Name]
N-(2-Brom-4,5-dimethoxybenzyl)-1-(1-naphthyl)ethanamin [German] [ACD/IUPAC Name]
N-(2-Bromo-4,5-dimethoxybenzyl)-1-(1-naphthyl)ethanamine [ACD/IUPAC Name]
N-(2-Bromo-4,5-diméthoxybenzyl)-1-(1-naphtyl)éthanamine [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: 495.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.6±27.3 °C
Index of Refraction: 1.616
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 69.60
ACD/KOC (pH 5.5): 218.47
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2507.19
ACD/KOC (pH 7.4): 7869.90
Polar Surface Area: 30 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 307.3±3.0 cm3

Click to predict properties on the Chemicalize site


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