ChemSpider 2D Image | 2-(4-Iodo-2,5-dimethoxyphenyl)-N-(3-methoxybenzyl)ethanamine | C18H22INO3

2-(4-Iodo-2,5-dimethoxyphenyl)-N-(3-methoxybenzyl)ethanamine

  • Molecular FormulaC18H22INO3
  • Average mass427.277 Da
  • Monoisotopic mass427.064423 Da
  • ChemSpider ID52085501

More details:

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

1566571-40-1 [RN]
2-(4-Iod-2,5-dimethoxyphenyl)-N-(3-methoxybenzyl)ethanamin [German] [ACD/IUPAC Name]
2-(4-IODO-2,5-DIMETHOXYPHENYL)-N-(3-METHOXYBENZYL)ETHAN-1-AMINE
2-(4-Iodo-2,5-dimethoxyphenyl)-N-(3-methoxybenzyl)ethanamine [ACD/IUPAC Name]
2-(4-Iodo-2,5-diméthoxyphényl)-N-(3-méthoxybenzyl)éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-iodo-2,5-dimethoxy-N-[(3-methoxyphenyl)methyl]- [ACD/Index Name]

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

490QN6U1OF [DBID]
UNII:490QN6U1OF [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 489.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.6±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): 1.47
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 7.07
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 42.82
ACD/KOC (pH 7.4): 195.93
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

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