ChemSpider 2D Image | (2R,2'R)-3,3'-[1,4-Phenylenebis(oxy)]bis{1-[4-(2-phenoxyethyl)-1-piperazinyl]-2-propanol} | C36H50N4O6

(2R,2'R)-3,3'-[1,4-Phenylenebis(oxy)]bis{1-[4-(2-phenoxyethyl)-1-piperazinyl]-2-propanol}

  • Molecular FormulaC36H50N4O6
  • Average mass634.805 Da
  • Monoisotopic mass634.373047 Da
  • ChemSpider ID7819504

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,2'R)-3,3'-[1,4-Phenylenbis(oxy)]bis{1-[4-(2-phenoxyethyl)-1-piperazinyl]-2-propanol} [German] [ACD/IUPAC Name]
(2R,2'R)-3,3'-[1,4-Phenylenebis(oxy)]bis{1-[4-(2-phenoxyethyl)-1-piperazinyl]-2-propanol} [ACD/IUPAC Name]
(2R,2'R)-3,3'-[1,4-Phénylènebis(oxy)]bis{1-[4-(2-phénoxyéthyl)-1-pipérazinyl]-2-propanol} [French] [ACD/IUPAC Name]
1-Piperazineethanol, α,α'-[1,4-phenylenebis(oxymethylene)]bis[4-(2-phenoxyethyl)-, (αR)- [ACD/Index 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: 771.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 420.1±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 179.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.15
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 126.00
ACD/KOC (pH 7.4): 930.56
Polar Surface Area: 90 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 540.4±3.0 cm3

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