ChemSpider 2D Image | 2-{4-Iodo-2,5-bis[(~2~H_3_)methyloxy]phenyl}-N-(2-methoxybenzyl)ethanamine | C18H16D6INO3

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

  • Molecular FormulaC18H16D6INO3
  • Average mass433.314 Da
  • Monoisotopic mass433.102081 Da
  • ChemSpider ID58780083

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{4-Iod-2,5-bis[(2H3)methyloxy]phenyl}-N-(2-methoxybenzyl)ethanamin [German] [ACD/IUPAC Name]
2-{4-Iodo-2,5-bis[(2H3)methyloxy]phenyl}-N-(2-methoxybenzyl)ethanamine [ACD/IUPAC Name]
2-{4-Iodo-2,5-bis[(2H3)méthyloxy]phényl}-N-(2-méthoxybenzyl)éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-iodo-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: 1.4±0.1 g/cm3
Boiling Point: 480.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 244.4±28.7 °C
Index of Refraction: 1.586
Molar Refractivity: 101.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 6.80
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 38.39
ACD/KOC (pH 7.4): 175.69
Polar Surface Area: 40 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 302.4±3.0 cm3

Click to predict properties on the Chemicalize site


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