ChemSpider 2D Image | (3R,5S)-1-Isocyanatoadamantane | C11H15NO

(3R,5S)-1-Isocyanatoadamantane

  • Molecular FormulaC11H15NO
  • Average mass177.243 Da
  • Monoisotopic mass177.115356 Da
  • ChemSpider ID50644763

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3R,5S)-1-Isocyanatoadamantan [German] [ACD/IUPAC Name]
(3R,5S)-1-Isocyanatoadamantane [ACD/IUPAC Name]
(3R,5S)-1-Isocyanatoadamantane [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane, 1-isocyanato-, (3R,5S)- [ACD/Index Name]
1-Adamantyl isocyanate
4411-25-0 [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: 247.1±9.0 °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: 88.5±21.3 °C
Index of Refraction: 1.687
Molar Refractivity: 50.0±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 286.60
ACD/KOC (pH 5.5): 1997.69
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 286.60
ACD/KOC (pH 7.4): 1997.69
Polar Surface Area: 29 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 131.4±7.0 cm3

Click to predict properties on the Chemicalize site


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