ChemSpider 2D Image | 5-(3,4,5-Trimethoxybenzyl)-2,4-pyrimidinediamine 1-oxide | C14H18N4O4

5-(3,4,5-Trimethoxybenzyl)-2,4-pyrimidinediamine 1-oxide

  • Molecular FormulaC14H18N4O4
  • Average mass306.317 Da
  • Monoisotopic mass306.132813 Da
  • ChemSpider ID57618977

More details:

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

1-Oxyde de 5-(3,4,5-triméthoxybenzyl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
2,4-Pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]-, 1-oxide [ACD/Index Name]
5-(3,4,5-Trimethoxybenzyl)-2,4-pyrimidindiamin-1-oxid [German] [ACD/IUPAC Name]
5-(3,4,5-Trimethoxybenzyl)-2,4-pyrimidinediamine 1-oxide [ACD/IUPAC Name]
27653-68-5 [RN]
5-(3',4',5'-trimethoxybenzyl)pyrimidine-2,4-diamine 1-oxide
Trimethoprim N-oxide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 563.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.8±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 77.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 40.94
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 41.08
Polar Surface Area: 118 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 224.2±7.0 cm3

Click to predict properties on the Chemicalize site


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