ChemSpider 2D Image | 2-Amino-4-{4-[2-(4-butylphenyl)ethyl]phenyl}-2-(hydroxymethyl)butyl dihydrogen phosphate | C23H34NO5P

2-Amino-4-{4-[2-(4-butylphenyl)ethyl]phenyl}-2-(hydroxymethyl)butyl dihydrogen phosphate

  • Molecular FormulaC23H34NO5P
  • Average mass435.493 Da
  • Monoisotopic mass435.217468 Da
  • ChemSpider ID31104603

More details:

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

1,3-Propanediol, 2-amino-2-[2-[4-[2-(4-butylphenyl)ethyl]phenyl]ethyl]-, mono(dihydrogen phosphate) (ester) [ACD/Index Name]
2-Amino-4-{4-[2-(4-butylphenyl)ethyl]phenyl}-2-(hydroxymethyl)butyl dihydrogen phosphate [ACD/IUPAC Name]
2-Amino-4-{4-[2-(4-butylphenyl)ethyl]phenyl}-2-(hydroxymethyl)butyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 2-amino-4-{4-[2-(4-butylphényl)éthyl]phényl}-2-(hydroxyméthyl)butyle [French] [ACD/IUPAC 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: 647.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 345.4±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 119.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.15
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 357.9±3.0 cm3

Click to predict properties on the Chemicalize site


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