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Search term: 28536047 (Found by CSID)
ChemSpider 2D Image | terretrione B | C18H24N2O3

terretrione B

  • Molecular FormulaC18H24N2O3
  • Average mass316.395 Da
  • Monoisotopic mass316.178680 Da
  • ChemSpider ID28536047

More details:

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1H-1,4-Diazepine-2,5,7(6H)-trione, dihydro-1,4-dimethyl-3-(2-methylpropyl)-6-(phenylmethyl)- [ACD/Index Name]
6-Benzyl-3-isobutyl-1,4-dimethyl-1,4-diazepan-2,5,7-trion [German] [ACD/IUPAC Name]
6-Benzyl-3-isobutyl-1,4-dimethyl-1,4-diazepane-2,5,7-trione [ACD/IUPAC Name]
6-Benzyl-3-isobutyl-1,4-diméthyl-1,4-diazépane-2,5,7-trione [French] [ACD/IUPAC Name]
terretrione B
terretrione A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 499.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 220.2±19.1 °C
Index of Refraction: 1.528
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.73
ACD/KOC (pH 5.5): 616.78
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 30.51
ACD/KOC (pH 7.4): 337.65
Polar Surface Area: 58 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 285.1±3.0 cm3

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