ChemSpider 2D Image | (3S,6S)-3,6-Bis(4-hydroxybenzyl)-2-piperazinone | C18H20N2O3

(3S,6S)-3,6-Bis(4-hydroxybenzyl)-2-piperazinone

  • Molecular FormulaC18H20N2O3
  • Average mass312.363 Da
  • Monoisotopic mass312.147400 Da
  • ChemSpider ID35033630

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,6S)-3,6-Bis(4-hydroxybenzyl)-2-piperazinon [German] [ACD/IUPAC Name]
(3S,6S)-3,6-Bis(4-hydroxybenzyl)-2-piperazinone [ACD/IUPAC Name]
(3S,6S)-3,6-Bis(4-hydroxybenzyl)-2-pipérazinone [French] [ACD/IUPAC Name]
(3s,6s)-3,6-Bis(4-Hydroxybenzyl)piperazin-2-One
2-Piperazinone, 3,6-bis[(4-hydroxyphenyl)methyl]-, (3S,6S)- [ACD/Index Name]
1G4

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

Density: 1.3±0.1 g/cm3
Boiling Point: 608.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 322.0±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 87.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.99
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.02
ACD/KOC (pH 7.4): 88.97
Polar Surface Area: 82 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 248.5±3.0 cm3

Click to predict properties on the Chemicalize site


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