ChemSpider 2D Image | (2S)-2-(Hydroxymethyl)-2-(methoxymethyl)quinuclidin-3-one | C10H17NO3

(2S)-2-(Hydroxymethyl)-2-(methoxymethyl)quinuclidin-3-one

  • Molecular FormulaC10H17NO3
  • Average mass199.247 Da
  • Monoisotopic mass199.120850 Da
  • ChemSpider ID34995699

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one
(2S)-2-(Hydroxymethyl)-2-(methoxymethyl)chinuclidin-3-on [German] [ACD/IUPAC Name]
(2S)-2-(Hydroxymethyl)-2-(methoxymethyl)quinuclidin-3-one [ACD/IUPAC Name]
(2S)-2-(Hydroxyméthyl)-2-(méthoxyméthyl)quinuclidin-3-one [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octan-3-one, 2-(hydroxymethyl)-2-(methoxymethyl)-, (2S)- [ACD/Index Name]
5291-32-7 [RN]
APR-246
UNII-Z41TGB4080

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

Density: 1.2±0.1 g/cm3
Boiling Point: 313.8±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.3±6.0 kJ/mol
Flash Point: 143.6±20.9 °C
Index of Refraction: 1.537
Molar Refractivity: 51.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.34
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.32
Polar Surface Area: 50 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 165.0±5.0 cm3

Click to predict properties on the Chemicalize site


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