ChemSpider 2D Image | 2-{4-[4-Ethoxy-3-(hydroxymethyl)benzyl]-1-(3-methylbutyl)-2-piperazinyl}ethanol | C21H36N2O3

2-{4-[4-Ethoxy-3-(hydroxymethyl)benzyl]-1-(3-methylbutyl)-2-piperazinyl}ethanol

  • Molecular FormulaC21H36N2O3
  • Average mass364.522 Da
  • Monoisotopic mass364.272583 Da
  • ChemSpider ID23057460

More details:

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

2-{4-[4-Ethoxy-3-(hydroxymethyl)benzyl]-1-(3-methylbutyl)-2-piperazinyl}ethanol [ACD/IUPAC Name]
2-{4-[4-Ethoxy-3-(hydroxymethyl)benzyl]-1-(3-methylbutyl)-2-piperazinyl}ethanol [German] [ACD/IUPAC Name]
2-{4-[4-Éthoxy-3-(hydroxyméthyl)benzyl]-1-(3-méthylbutyl)-2-pipérazinyl}éthanol [French] [ACD/IUPAC Name]
2-Piperazineethanol, 4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-1-(3-methylbutyl)- [ACD/Index Name]
2-(4-{[4-ETHOXY-3-(HYDROXYMETHYL)PHENYL]METHYL}-1-(3-METHYLBUTYL)PIPERAZIN-2-YL)ETHAN-1-OL
2-(4-{[4-ETHOXY-3-(HYDROXYMETHYL)PHENYL]METHYL}-1-(3-METHYLBUTYL)PIPERAZIN-2-YL)ETHANOL
2-[4-[4-ethoxy-3-(hydroxymethyl)benzyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 499.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 256.2±27.3 °C
Index of Refraction: 1.532
Molar Refractivity: 106.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 3.30
ACD/KOC (pH 7.4): 54.39
Polar Surface Area: 56 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 343.8±3.0 cm3

Click to predict properties on the Chemicalize site


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