Found 4 results

Search term: PTVMGIXBAOSAGF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,5R)-3-Methyl-3-azabicyclo[3.3.1]nonan-9-one | C9H15NO

(1R,5R)-3-Methyl-3-azabicyclo[3.3.1]nonan-9-one

  • Molecular FormulaC9H15NO
  • Average mass153.221 Da
  • Monoisotopic mass153.115356 Da
  • ChemSpider ID61440567

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-3-Methyl-3-azabicyclo[3.3.1]nonan-9-on [German] [ACD/IUPAC Name]
(1R,5R)-3-Methyl-3-azabicyclo[3.3.1]nonan-9-one [ACD/IUPAC Name]
(1R,5R)-3-Méthyl-3-azabicyclo[3.3.1]nonan-9-one [French] [ACD/IUPAC Name]
3-Azabicyclo[3.3.1]nonan-9-one, 3-methyl-, (1R,5R)- [ACD/Index Name]
4146-35-4 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 246.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.4±3.0 kJ/mol
Flash Point: 95.9±10.0 °C
Index of Refraction: 1.497
Molar Refractivity: 43.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.69
Polar Surface Area: 20 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 148.2±3.0 cm3

Click to predict properties on the Chemicalize site


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