ChemSpider 2D Image | Diethyl 2,2'-[(1s,5s)-3,7-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-diyl]diacetate | C17H28N2O5

Diethyl 2,2'-[(1s,5s)-3,7-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-diyl]diacetate

  • Molecular FormulaC17H28N2O5
  • Average mass340.415 Da
  • Monoisotopic mass340.199829 Da
  • ChemSpider ID23717923

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,2'-[(1s,5s)-3,7-Diméthyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-diyl]diacétate de diéthyle [French] [ACD/IUPAC Name]
3,7-Diazabicyclo[3.3.1]nonane-1,5-diacetic acid, 3,7-dimethyl-9-oxo-, diethyl ester [ACD/Index Name]
Diethyl 2,2'-[(1s,5s)-3,7-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-diyl]diacetate [ACD/IUPAC Name]
Diethyl-2,2'-[(1s,5s)-3,7-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-1,5-diyl]diacetat [German] [ACD/IUPAC Name]
297762-78-8 [RN]
ETHYL 2-[5-(2-ETHOXY-2-OXOETHYL)-3,7-DIMETHYL-9-OXO-3,7-DIAZABICYCLO[3.3.1]NONAN-1-YL]ACETATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 426.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.5±28.7 °C
Index of Refraction: 1.501
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.54
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 3.67
ACD/KOC (pH 7.4): 76.89
Polar Surface Area: 76 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 296.9±3.0 cm3

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