ChemSpider 2D Image | 1-(2-Furylmethoxy)-3-[(3-methylbutyl)({1-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrrol-2-yl}methyl)amino]-2-propanol | C29H42N2O3

1-(2-Furylmethoxy)-3-[(3-methylbutyl)({1-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrrol-2-yl}methyl)amino]-2-propanol

  • Molecular FormulaC29H42N2O3
  • Average mass466.655 Da
  • Monoisotopic mass466.319550 Da
  • ChemSpider ID21568338

More details:

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

1-(2-Furylmethoxy)-3-[(3-methylbutyl)({1-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrrol-2-yl}methyl)amino]-2-propanol [ACD/IUPAC Name]
1-(2-Furylmethoxy)-3-[(3-methylbutyl)({1-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrrol-2-yl}methyl)amino]-2-propanol [German] [ACD/IUPAC Name]
1-(2-Furylméthoxy)-3-[(3-méthylbutyl)({1-[4-(2-méthyl-2-propanyl)benzyl]-1H-pyrrol-2-yl}méthyl)amino]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[[[1-[[4-(1,1-dimethylethyl)phenyl]methyl]-1H-pyrrol-2-yl]methyl](3-methylbutyl)amino]-3-(2-furanylmethoxy)- [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: 578.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 303.9±30.1 °C
Index of Refraction: 1.539
Molar Refractivity: 139.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 116.76
ACD/KOC (pH 5.5): 181.21
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 5232.73
ACD/KOC (pH 7.4): 8121.00
Polar Surface Area: 51 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 36.8±7.0 dyne/cm
Molar Volume: 446.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement