ChemSpider 2D Image | (2Z)-(3R)-1-Azabicyclo[2.2.2]oct-3-yl(methoxyimino)acetonitrile | C10H15N3O

(2Z)-(3R)-1-Azabicyclo[2.2.2]oct-3-yl(methoxyimino)acetonitrile

  • Molecular FormulaC10H15N3O
  • Average mass193.246 Da
  • Monoisotopic mass193.121506 Da
  • ChemSpider ID61697034

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z)-(3R)-1-Azabicyclo[2.2.2]oct-3-yl(methoxyimino)acetonitril [German] [ACD/IUPAC Name]
(2Z)-(3R)-1-Azabicyclo[2.2.2]oct-3-yl(methoxyimino)acetonitrile [ACD/IUPAC Name]
(2Z)-(3R)-1-Azabicyclo[2.2.2]oct-3-yl(méthoxyimino)acétonitrile [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octane-3-acetonitrile, α-(methoxyimino)-, (αZ,3R)- [ACD/Index Name]
(3R)-N-Methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl cyanide
133642-64-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 278.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.7±3.0 kJ/mol
Flash Point: 122.0±27.9 °C
Index of Refraction: 1.612
Molar Refractivity: 53.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 23.16
Polar Surface Area: 49 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 154.4±7.0 cm3

Click to predict properties on the Chemicalize site


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