ChemSpider 2D Image | (1R,2S,4R,5S)-3-Oxa-9-azatricyclo[3.3.1.0~2,4~]nonane | C7H11NO

(1R,2S,4R,5S)-3-Oxa-9-azatricyclo[3.3.1.02,4]nonane

  • Molecular FormulaC7H11NO
  • Average mass125.168 Da
  • Monoisotopic mass125.084061 Da
  • ChemSpider ID24206559

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,4R,5S)-3-Oxa-9-azatricyclo[3.3.1.02,4]nonan [German] [ACD/IUPAC Name]
(1R,2S,4R,5S)-3-Oxa-9-azatricyclo[3.3.1.02,4]nonane [ACD/IUPAC Name]
(1R,2S,4R,5S)-3-Oxa-9-azatricyclo[3.3.1.02,4]nonane [French] [ACD/IUPAC Name]
3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, (1R,2S,4R,5S)- [ACD/Index Name]
169219-68-5 [RN]
3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, (1α,2β,4β,5α)- (9CI)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 202.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.8±3.0 kJ/mol
Flash Point: 69.7±9.8 °C
Index of Refraction: 1.525
Molar Refractivity: 33.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -2.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 25 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 108.8±3.0 cm3

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