ChemSpider 2D Image | MFCD09841385 | C14H9D9N4O3

MFCD09841385

  • Molecular FormulaC14H9D9N4O3
  • Average mass299.373 Da
  • Monoisotopic mass299.194366 Da
  • ChemSpider ID23937336
  • Non-standard isotope - Non-standard isotope


More details:






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

1189460-62-5 [RN]
2,4-Diamino-5-(3,4,5-tri(methoxy-d3)benzyl)pyrimidine
2,4-Pyrimidinediamine, 5-[[3,4,5-tris(methyl-d3-oxy)phenyl]methyl]- [ACD/Index Name]
5-{3,4,5-Tris[(2H3)methyloxy]benzyl}-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-{3,4,5-Tris[(2H3)methyloxy]benzyl}-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-{3,4,5-Tris[(2H3)méthyloxy]benzyl}-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
MFCD09841385
TRIMETHOPRIM-D9
5-({3,4,5-Tris[(2H3)methyloxy]phenyl}methyl)pyrimidine-2,4-diamine
5-[[3,4,5-tris(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 526.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.9±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 80.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.89
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.14
ACD/KOC (pH 7.4): 72.87
Polar Surface Area: 106 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 231.9±3.0 cm3

Click to predict properties on the Chemicalize site






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