ChemSpider 2D Image | (5R)-2-Methoxy-6-[(4-nitrophenyl)ethynyl]-1-azabicyclo[3.2.2]nonane | C17H20N2O3

(5R)-2-Methoxy-6-[(4-nitrophenyl)ethynyl]-1-azabicyclo[3.2.2]nonane

  • Molecular FormulaC17H20N2O3
  • Average mass300.352 Da
  • Monoisotopic mass300.147400 Da
  • ChemSpider ID30651409

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(5R)-2-Methoxy-6-[(4-nitrophenyl)ethinyl]-1-azabicyclo[3.2.2]nonan [German] [ACD/IUPAC Name]
(5R)-2-Methoxy-6-[(4-nitrophenyl)ethynyl]-1-azabicyclo[3.2.2]nonane [ACD/IUPAC Name]
(5R)-2-Méthoxy-6-[(4-nitrophényl)éthynyl]-1-azabicyclo[3.2.2]nonane [French] [ACD/IUPAC Name]
1-Azabicyclo[3.2.2]nonane, 2-methoxy-6-[2-(4-nitrophenyl)ethynyl]-, (5R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 441.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 221.0±27.3 °C
Index of Refraction: 1.603
Molar Refractivity: 83.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 2.46
ACD/KOC (pH 5.5): 22.33
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 71.68
ACD/KOC (pH 7.4): 649.24
Polar Surface Area: 58 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 242.1±5.0 cm3

Click to predict properties on the Chemicalize site


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