ChemSpider 2D Image | N-{[2-(1,4-Dithian-2-yl)-6-methyl-4-pyrimidinyl]methyl}-2-methyl-1-propanamine | C14H23N3S2

N-{[2-(1,4-Dithian-2-yl)-6-methyl-4-pyrimidinyl]methyl}-2-methyl-1-propanamine

  • Molecular FormulaC14H23N3S2
  • Average mass297.483 Da
  • Monoisotopic mass297.133331 Da
  • ChemSpider ID35532722

More details:

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

4-Pyrimidinemethanamine, 2-(1,4-dithian-2-yl)-6-methyl-N-(2-methylpropyl)- [ACD/Index Name]
N-{[2-(1,4-Dithian-2-yl)-6-methyl-4-pyrimidinyl]methyl}-2-methyl-1-propanamin [German] [ACD/IUPAC Name]
N-{[2-(1,4-Dithian-2-yl)-6-methyl-4-pyrimidinyl]methyl}-2-methyl-1-propanamine [ACD/IUPAC Name]
N-{[2-(1,4-Dithian-2-yl)-6-méthyl-4-pyrimidinyl]méthyl}-2-méthyl-1-propanamine [French] [ACD/IUPAC 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: 440.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 219.9±28.7 °C
Index of Refraction: 1.575
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.80
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 28.92
ACD/KOC (pH 7.4): 298.48
Polar Surface Area: 88 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 263.8±3.0 cm3

Click to predict properties on the Chemicalize site


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