ChemSpider 2D Image | 5-{2-Methyl-4,5-bis[(~2~H_3_)methyloxy]benzyl}-2,4-pyrimidinediamine | C14H12D6N4O2

5-{2-Methyl-4,5-bis[(2H3)methyloxy]benzyl}-2,4-pyrimidinediamine

  • Molecular FormulaC14H12D6N4O2
  • Average mass280.355 Da
  • Monoisotopic mass280.180634 Da
  • ChemSpider ID48062786

  • Non-standard isotope - Non-standard isotope

More details:

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

2,4-Pyrimidinediamine, 5-[[2-methyl-4,5-bis(methyl-d3-oxy)phenyl]methyl]- [ACD/Index Name]
5-{2-Methyl-4,5-bis[(2H3)methyloxy]benzyl}-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-{2-Methyl-4,5-bis[(2H3)methyloxy]benzyl}-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-{2-Méthyl-4,5-bis[(2H3)méthyloxy]benzyl}-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
1346602-49-0 [RN]
5-[[2-methyl-4,5-bis(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 521.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.2±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.21
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.51
ACD/KOC (pH 7.4): 107.73
Polar Surface Area: 96 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 224.1±3.0 cm3

Click to predict properties on the Chemicalize site


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