ChemSpider 2D Image | (1S,4S)-2-Benzyl-2-azabicyclo[2.2.1]hept-5-ene | C13H15N

(1S,4S)-2-Benzyl-2-azabicyclo[2.2.1]hept-5-ene

  • Molecular FormulaC13H15N
  • Average mass185.265 Da
  • Monoisotopic mass185.120453 Da
  • ChemSpider ID58540653

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4S)-2-Benzyl-2-azabicyclo[2.2.1]hept-5-en [German] [ACD/IUPAC Name]
(1S,4S)-2-Benzyl-2-azabicyclo[2.2.1]hept-5-ene [ACD/IUPAC Name]
(1S,4S)-2-Benzyl-2-azabicyclo[2.2.1]hept-5-ène [French] [ACD/IUPAC Name]
2-Azabicyclo[2.2.1]hept-5-ene, 2-(phenylmethyl)-, (1S,4S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 274.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.3±3.0 kJ/mol
Flash Point: 109.5±15.6 °C
Index of Refraction: 1.608
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 2.74
ACD/KOC (pH 7.4): 28.94
Polar Surface Area: 3 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 167.9±3.0 cm3

Click to predict properties on the Chemicalize site


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