ChemSpider 2D Image | (1S)-8-Benzyl-3,8-diazabicyclo[3.2.1]octane | C13H18N2

(1S)-8-Benzyl-3,8-diazabicyclo[3.2.1]octane

  • Molecular FormulaC13H18N2
  • Average mass202.295 Da
  • Monoisotopic mass202.147003 Da
  • ChemSpider ID110458406

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-8-Benzyl-3,8-diazabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(1S)-8-Benzyl-3,8-diazabicyclo[3.2.1]octane [ACD/IUPAC Name]
(1S)-8-Benzyl-3,8-diazabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
3,8-Diazabicyclo[3.2.1]octane, 8-(phenylmethyl)-, (1S)- [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: 309.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 131.4±13.3 °C
Index of Refraction: 1.570
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 15 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 188.3±3.0 cm3

Click to predict properties on the Chemicalize site


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