ChemSpider 2D Image | 4-(Dodecylamino)-3-(2-methylbenzyl)-2H-chromen-2-one | C29H39NO2

4-(Dodecylamino)-3-(2-methylbenzyl)-2H-chromen-2-one

  • Molecular FormulaC29H39NO2
  • Average mass433.625 Da
  • Monoisotopic mass433.298065 Da
  • ChemSpider ID23283975

More details:

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

2H-1-Benzopyran-2-one, 4-(dodecylamino)-3-[(2-methylphenyl)methyl]- [ACD/Index Name]
4-(Dodecylamino)-3-(2-methylbenzyl)-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-(Dodecylamino)-3-(2-methylbenzyl)-2H-chromen-2-one [ACD/IUPAC Name]
4-(Dodécylamino)-3-(2-méthylbenzyl)-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-n-dodecylamino-3-(2-methylbenzyl)coumarin
CHEMBL226003

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

Density: 1.1±0.1 g/cm3
Boiling Point: 586.1±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.2±29.8 °C
Index of Refraction: 1.562
Molar Refractivity: 133.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 10.19
ACD/LogD (pH 5.5): 9.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6159129.00
ACD/LogD (pH 7.4): 9.97
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6314711.50
Polar Surface Area: 38 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 410.6±5.0 cm3

Click to predict properties on the Chemicalize site


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