ChemSpider 2D Image | 3-(2-{3-[(2,4-Diamino-6-ethyl-5-pyrimidinyl)oxy]propoxy}phenyl)propanoic acid | C18H24N4O4

3-(2-{3-[(2,4-Diamino-6-ethyl-5-pyrimidinyl)oxy]propoxy}phenyl)propanoic acid

  • Molecular FormulaC18H24N4O4
  • Average mass360.408 Da
  • Monoisotopic mass360.179749 Da
  • ChemSpider ID30842239

More details:

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

3-(2-{3-[(2,4-Diamino-6-ethyl-5-pyrimidinyl)oxy]propoxy}phenyl)propanoic acid [ACD/IUPAC Name]
3-(2-{3-[(2,4-Diamino-6-ethyl-5-pyrimidinyl)oxy]propoxy}phenyl)propansäure [German] [ACD/IUPAC Name]
3-(2-{3-[(2,4-Diamino-6-Ethylpyrimidin-5-Yl)oxy]propoxy}phenyl)propanoic Acid
Acide 3-(2-{3-[(2,4-diamino-6-éthyl-5-pyrimidinyl)oxy]propoxy}phényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2-[3-[(2,4-diamino-6-ethyl-5-pyrimidinyl)oxy]propoxy]- [ACD/Index Name]
MMV
P218

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

Density: 1.3±0.1 g/cm3
Boiling Point: 617.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 327.3±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.64
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 134 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 282.6±3.0 cm3

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