ChemSpider 2D Image | 2-{4-Bromo-2,5-bis[(~2~H_3_)methyloxy]phenyl}-N-(2-methoxybenzyl)ethanamine | C18H16D6BrNO3

2-{4-Bromo-2,5-bis[(2H3)methyloxy]phenyl}-N-(2-methoxybenzyl)ethanamine

  • Molecular FormulaC18H16D6BrNO3
  • Average mass386.313 Da
  • Monoisotopic mass385.115967 Da
  • ChemSpider ID58779418

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{4-Brom-2,5-bis[(2H3)methyloxy]phenyl}-N-(2-methoxybenzyl)ethanamin [German] [ACD/IUPAC Name]
2-{4-Bromo-2,5-bis[(2H3)methyloxy]phenyl}-N-(2-methoxybenzyl)ethanamine [ACD/IUPAC Name]
2-{4-Bromo-2,5-bis[(2H3)méthyloxy]phényl}-N-(2-méthoxybenzyl)éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-bromo-N-[(2-methoxyphenyl)methyl]-2,5-bis(methyl-d3-oxy)- [ACD/Index 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: 463.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 234.0±27.3 °C
Index of Refraction: 1.563
Molar Refractivity: 96.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 6.68
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 38.95
ACD/KOC (pH 7.4): 181.39
Polar Surface Area: 40 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 296.5±3.0 cm3

Click to predict properties on the Chemicalize site


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