ChemSpider 2D Image | (3s,5s,7s)-1-Nitroadamantane | C10H15NO2

(3s,5s,7s)-1-Nitroadamantane

  • Molecular FormulaC10H15NO2
  • Average mass181.232 Da
  • Monoisotopic mass181.110275 Da
  • ChemSpider ID29367745
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3s,5s,7s)-1-Nitroadamantan [German] [ACD/IUPAC Name]
(3s,5s,7s)-1-Nitroadamantane [ACD/IUPAC Name]
(3s,5s,7s)-1-Nitroadamantane [French] [ACD/IUPAC Name]
7575-82-8 [RN]
Tricyclo[3.3.1.13,7]decane, 1-nitro- [ACD/Index Name]
[7575-82-8] [RN]
MFCD01321099 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 277.1±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 121.8±11.0 °C
Index of Refraction: 1.546
Molar Refractivity: 48.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.94
ACD/KOC (pH 5.5): 667.25
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.94
ACD/KOC (pH 7.4): 667.25
Polar Surface Area: 46 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 152.2±5.0 cm3

Click to predict properties on the Chemicalize site






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