ChemSpider 2D Image | 2-(Hydroxymethyl)-2-{[4-(tetradecyloxy)benzyl]amino}-1,3-propanediol | C25H45NO4

2-(Hydroxymethyl)-2-{[4-(tetradecyloxy)benzyl]amino}-1,3-propanediol

  • Molecular FormulaC25H45NO4
  • Average mass423.629 Da
  • Monoisotopic mass423.334869 Da
  • ChemSpider ID30839497

More details:

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

1,3-Propanediol, 2-(hydroxymethyl)-2-[[[4-(tetradecyloxy)phenyl]methyl]amino]- [ACD/Index Name]
2-(Hydroxymethyl)-2-{[4-(tetradecyloxy)benzyl]amino}-1,3-propandiol [German] [ACD/IUPAC Name]
2-(Hydroxymethyl)-2-{[4-(tetradecyloxy)benzyl]amino}-1,3-propanediol [ACD/IUPAC Name]
2-(Hydroxyméthyl)-2-{[4-(tétradécyloxy)benzyl]amino}-1,3-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 588.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 309.8±28.7 °C
Index of Refraction: 1.518
Molar Refractivity: 124.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 8.36
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 6247.04
ACD/KOC (pH 5.5): 8395.91
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 79645.41
ACD/KOC (pH 7.4): 107042.04
Polar Surface Area: 82 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 411.7±3.0 cm3

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