ChemSpider 2D Image | 1-(9H-Fluoren-9-ylmethyl) 2-methyl (2S)-5-oxo-1,2-piperazinedicarboxylate | C21H20N2O5

1-(9H-Fluoren-9-ylmethyl) 2-methyl (2S)-5-oxo-1,2-piperazinedicarboxylate

  • Molecular FormulaC21H20N2O5
  • Average mass380.394 Da
  • Monoisotopic mass380.137207 Da
  • ChemSpider ID30659059

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-Oxo-1,2-pipérazinedicarboxylate de 1-(9H-fluorén-9-ylméthyle) et de 2-méthyle [French] [ACD/IUPAC Name]
1-(9H-Fluoren-9-ylmethyl) 2-methyl (2S)-5-oxo-1,2-piperazinedicarboxylate [ACD/IUPAC Name]
1-(9H-Fluoren-9-ylmethyl)-2-methyl-(2S)-5-oxo-1,2-piperazindicarboxylat [German] [ACD/IUPAC Name]
1,2-Piperazinedicarboxylic acid, 5-oxo-, 1-(9H-fluoren-9-ylmethyl) 2-methyl ester, (2S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 612.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 323.9±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 99.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.59
ACD/KOC (pH 5.5): 535.85
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.59
ACD/KOC (pH 7.4): 535.85
Polar Surface Area: 85 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 289.6±3.0 cm3

Click to predict properties on the Chemicalize site


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