ChemSpider 2D Image | (3S)-3-(3,5,6-Trimethyl-2-pyrazinyl)-1-azabicyclo[2.2.1]heptane | C13H19N3

(3S)-3-(3,5,6-Trimethyl-2-pyrazinyl)-1-azabicyclo[2.2.1]heptane

  • Molecular FormulaC13H19N3
  • Average mass217.310 Da
  • Monoisotopic mass217.157898 Da
  • ChemSpider ID28527616
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(3S)-3-(3,5,6-Trimethyl-2-pyrazinyl)-1-azabicyclo[2.2.1]heptan [German] [ACD/IUPAC Name]
(3S)-3-(3,5,6-Trimethyl-2-pyrazinyl)-1-azabicyclo[2.2.1]heptane [ACD/IUPAC Name]
(3S)-3-(3,5,6-Triméthyl-2-pyrazinyl)-1-azabicyclo[2.2.1]heptane [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.1]heptane, 3-(3,5,6-trimethyl-2-pyrazinyl)-, (3S)- [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: 329.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 153.2±26.5 °C
Index of Refraction: 1.577
Molar Refractivity: 63.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.12
Polar Surface Area: 29 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 192.5±5.0 cm3

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