ChemSpider 2D Image | Diisopropyl 2,2'-[(1s,5s)-3,7-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-diyl]diacetate | C19H32N2O5

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

  • Molecular FormulaC19H32N2O5
  • Average mass368.468 Da
  • Monoisotopic mass368.231110 Da
  • ChemSpider ID23718022

  • 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 diisopropyle [French] [ACD/IUPAC Name]
3,7-Diazabicyclo[3.3.1]nonane-1,5-diacetic acid, 3,7-dimethyl-9-oxo-, bis(1-methylethyl) ester [ACD/Index Name]
Diisopropyl 2,2'-[(1s,5s)-3,7-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-diyl]diacetate [ACD/IUPAC Name]
Diisopropyl-2,2'-[(1s,5s)-3,7-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-1,5-diyl]diacetat [German] [ACD/IUPAC Name]
334505-38-3 [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: 443.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 222.0±28.7 °C
Index of Refraction: 1.497
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.83
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 12.55
ACD/KOC (pH 7.4): 183.77
Polar Surface Area: 76 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 330.7±3.0 cm3

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