ChemSpider 2D Image | (2S)-2-Isopropyl-3,6-dimethoxy(5,5-~2~H_2_)-2,5-dihydropyrazine | C9H14D2N2O2

(2S)-2-Isopropyl-3,6-dimethoxy(5,5-2H2)-2,5-dihydropyrazine

  • Molecular FormulaC9H14D2N2O2
  • Average mass186.248 Da
  • Monoisotopic mass186.133728 Da
  • ChemSpider ID9882909

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2-Isopropyl-3,6-dimethoxy(5,5-2H2)-2,5-dihydropyrazin [German] [ACD/IUPAC Name]
(2S)-2-Isopropyl-3,6-dimethoxy(5,5-2H2)-2,5-dihydropyrazine [ACD/IUPAC Name]
(2S)-2-Isopropyl-3,6-diméthoxy(5,5-2H2)-2,5-dihydropyrazine [French] [ACD/IUPAC Name]
Pyrazine-2-d, 2,5-dihydro-2-d-3,6-dimethoxy-5-(1-methylethyl)-, (5S)- [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: 245.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.3±3.0 kJ/mol
Flash Point: 85.6±17.9 °C
Index of Refraction: 1.503
Molar Refractivity: 49.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.40
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 36.38
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 37.83
Polar Surface Area: 43 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 30.6±7.0 dyne/cm
Molar Volume: 167.8±7.0 cm3

Click to predict properties on the Chemicalize site


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