ChemSpider 2D Image | 1-[(3,5-Dimethoxybenzyl)(3-methylbutyl)amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol | C21H37NO4

1-[(3,5-Dimethoxybenzyl)(3-methylbutyl)amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol

  • Molecular FormulaC21H37NO4
  • Average mass367.523 Da
  • Monoisotopic mass367.272247 Da
  • ChemSpider ID22624601

More details:

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

1-[(3,5-Dimethoxybenzyl)(3-methylbutyl)amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol [ACD/IUPAC Name]
1-[(3,5-Dimethoxybenzyl)(3-methylbutyl)amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol [German] [ACD/IUPAC Name]
1-[(3,5-Diméthoxybenzyl)(3-méthylbutyl)amino]-3-[(2-méthyl-2-propanyl)oxy]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[[(3,5-dimethoxyphenyl)methyl](3-methylbutyl)amino]-3-(1,1-dimethylethoxy)- [ACD/Index 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: 472.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 239.3±28.7 °C
Index of Refraction: 1.500
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 10.24
ACD/KOC (pH 5.5): 46.10
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 474.44
ACD/KOC (pH 7.4): 2136.28
Polar Surface Area: 51 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 363.8±3.0 cm3

Click to predict properties on the Chemicalize site


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