ChemSpider 2D Image | 2-[(2,6-Dimethoxy-5-methyl-4-pyrimidinyl)methylene]-1,3-propanediol | C11H16N2O4

2-[(2,6-Dimethoxy-5-methyl-4-pyrimidinyl)methylene]-1,3-propanediol

  • Molecular FormulaC11H16N2O4
  • Average mass240.256 Da
  • Monoisotopic mass240.111008 Da
  • ChemSpider ID35034116

More details:






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

1,3-Propanediol, 2-[(2,6-dimethoxy-5-methyl-4-pyrimidinyl)methylene]- [ACD/Index Name]
2-[(2,6-Dimethoxy-5-methyl-4-pyrimidinyl)methylen]-1,3-propandiol [German] [ACD/IUPAC Name]
2-[(2,6-Dimethoxy-5-methyl-4-pyrimidinyl)methylene]-1,3-propanediol [ACD/IUPAC Name]
2-[(2,6-Diméthoxy-5-méthyl-4-pyrimidinyl)méthylène]-1,3-propanediol [French] [ACD/IUPAC Name]
2-[(2,6-Dimethoxy-5-Methylpyrimidin-4-Yl)methylidene]propane-1,3-Diol
N50

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 483.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 246.3±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 64.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 41.03
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 41.04
Polar Surface Area: 85 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 192.5±3.0 cm3

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