ChemSpider 2D Image | 2-Azabicyclo[2.2.1]hept-5-ene | C6H9N

2-Azabicyclo[2.2.1]hept-5-ene

  • Molecular FormulaC6H9N
  • Average mass95.142 Da
  • Monoisotopic mass95.073502 Da
  • ChemSpider ID21403256

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4R)-2-Azabicyclo[2.2.1]hept-5-en [German] [ACD/IUPAC Name]
(1S,4R)-2-Azabicyclo[2.2.1]hept-5-ene [ACD/IUPAC Name]
(1S,4R)-2-Azabicyclo[2.2.1]hept-5-ène [French] [ACD/IUPAC Name]
2-Azabicyclo[2.2.1]hept-5-ene [ACD/Index Name] [ACD/IUPAC Name]
2-Azabicyclo[2.2.1]hept-5-ene, (1S,4R)- [ACD/Index Name]
6671-85-8 [RN]
MFCD05864541 [MDL number]
(1R,4S)-5-azabicyclo[2.2.1]hept-2-ene
1212259-74-9 [RN]
1844222-94-1 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 137.6±9.0 °C at 760 mmHg
Vapour Pressure: 7.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.5±3.0 kJ/mol
Flash Point: 33.3±14.2 °C
Index of Refraction: 1.519
Molar Refractivity: 28.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 12 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 94.5±3.0 cm3

Click to predict properties on the Chemicalize site


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