ChemSpider 2D Image | 1-(Benzyloxy)-3-[(3,4-dimethoxybenzyl)(4-fluorobenzyl)amino]-2-propanol | C26H30FNO4

1-(Benzyloxy)-3-[(3,4-dimethoxybenzyl)(4-fluorobenzyl)amino]-2-propanol

  • Molecular FormulaC26H30FNO4
  • Average mass439.519 Da
  • Monoisotopic mass439.215881 Da
  • ChemSpider ID22624247

More details:

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

1-(Benzyloxy)-3-[(3,4-dimethoxybenzyl)(4-fluorbenzyl)amino]-2-propanol [German] [ACD/IUPAC Name]
1-(Benzyloxy)-3-[(3,4-dimethoxybenzyl)(4-fluorobenzyl)amino]-2-propanol [ACD/IUPAC Name]
1-(Benzyloxy)-3-[(3,4-diméthoxybenzyl)(4-fluorobenzyl)amino]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[[(3,4-dimethoxyphenyl)methyl][(4-fluorophenyl)methyl]amino]-3-(phenylmethoxy)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 566.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 296.1±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 123.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 140.75
ACD/KOC (pH 5.5): 621.66
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1279.01
ACD/KOC (pH 7.4): 5648.91
Polar Surface Area: 51 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 373.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement