ChemSpider 2D Image | 4-[2-Bromo-4-(2-methyl-2-propanyl)phenoxy]-1-(3-hydroxy-2,2-dimethyl-1-pyrrolidinyl)-1-butanone | C20H30BrNO3

4-[2-Bromo-4-(2-methyl-2-propanyl)phenoxy]-1-(3-hydroxy-2,2-dimethyl-1-pyrrolidinyl)-1-butanone

  • Molecular FormulaC20H30BrNO3
  • Average mass412.361 Da
  • Monoisotopic mass411.140900 Da
  • ChemSpider ID32194728

More details:

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

1-Butanone, 4-[2-bromo-4-(1,1-dimethylethyl)phenoxy]-1-(3-hydroxy-2,2-dimethyl-1-pyrrolidinyl)- [ACD/Index Name]
4-[2-Brom-4-(2-methyl-2-propanyl)phenoxy]-1-(3-hydroxy-2,2-dimethyl-1-pyrrolidinyl)-1-butanon [German] [ACD/IUPAC Name]
4-[2-Bromo-4-(2-methyl-2-propanyl)phenoxy]-1-(3-hydroxy-2,2-dimethyl-1-pyrrolidinyl)-1-butanone [ACD/IUPAC Name]
4-[2-Bromo-4-(2-méthyl-2-propanyl)phénoxy]-1-(3-hydroxy-2,2-diméthyl-1-pyrrolidinyl)-1-butanone [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: 519.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.7±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 103.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 528.17
ACD/KOC (pH 5.5): 3094.31
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 528.17
ACD/KOC (pH 7.4): 3094.31
Polar Surface Area: 50 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 330.7±3.0 cm3

Click to predict properties on the Chemicalize site


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