ChemSpider 2D Image | 4-Azatricyclo[4.2.0.0~3,8~]octa-1(8),3,5-triene | C7H5N

4-Azatricyclo[4.2.0.03,8]octa-1(8),3,5-triene

  • Molecular FormulaC7H5N
  • Average mass103.121 Da
  • Monoisotopic mass103.042198 Da
  • ChemSpider ID34445823

More details:

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

4-Azatricyclo[4.2.0.03,8]octa-1(8),3,5-trien [German] [ACD/IUPAC Name]
4-Azatricyclo[4.2.0.03,8]octa-1(8),3,5-triene [ACD/IUPAC Name]
4-Azatricyclo[4.2.0.03,8]octa-1(8),3,5-triène [French] [ACD/IUPAC Name]
4-Azatricyclo[4.2.0.03,8]octa-3,5,8-triene [ACD/Index Name]
111005-19-7 [RN]
1934909-01-9 [RN]
3,5-Dimethanolpyridine
MFCD15475081 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 194.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.3±3.0 kJ/mol
Flash Point: 76.1±10.9 °C
Index of Refraction: 1.814
Molar Refractivity: 30.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.05
ACD/KOC (pH 5.5): 76.07
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.21
ACD/KOC (pH 7.4): 80.15
Polar Surface Area: 13 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 87.4±3.0 dyne/cm
Molar Volume: 69.9±3.0 cm3

Click to predict properties on the Chemicalize site


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