ChemSpider 2D Image | (3R,6S)-3-Benzyl-6-isobutyl-2,5-piperazinedione | C15H20N2O2

(3R,6S)-3-Benzyl-6-isobutyl-2,5-piperazinedione

  • Molecular FormulaC15H20N2O2
  • Average mass260.332 Da
  • Monoisotopic mass260.152466 Da
  • ChemSpider ID57464854

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,6S)-3-Benzyl-6-isobutyl-2,5-piperazindion [German] [ACD/IUPAC Name]
(3R,6S)-3-Benzyl-6-isobutyl-2,5-piperazinedione [ACD/IUPAC Name]
(3R,6S)-3-Benzyl-6-isobutyl-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-(2-methylpropyl)-6-(phenylmethyl)-, (3S,6R)- [ACD/Index Name]
(3R,6S)-3-Benzyl-6-(2-methylpropyl)piperazine-2,5-dione
4156-30-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 521.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 205.3±28.3 °C
Index of Refraction: 1.519
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.69
ACD/KOC (pH 5.5): 135.61
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.69
ACD/KOC (pH 7.4): 135.61
Polar Surface Area: 58 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 240.8±3.0 cm3

Click to predict properties on the Chemicalize site


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