ChemSpider 2D Image | 3-(4-{2-Hydroxy-3-[(~2~H_7_)-2-propanylamino]propoxy}phenyl)propanoic acid | C15H16D7NO4

3-(4-{2-Hydroxy-3-[(2H7)-2-propanylamino]propoxy}phenyl)propanoic acid

  • Molecular FormulaC15H16D7NO4
  • Average mass288.391 Da
  • Monoisotopic mass288.206635 Da
  • ChemSpider ID58783404
  • Non-standard isotope - Non-standard isotope


More details:






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

3-(4-{2-Hydroxy-3-[(2H7)-2-propanylamino]propoxy}phenyl)propanoic acid [ACD/IUPAC Name]
3-(4-{2-Hydroxy-3-[(2H7)-2-propanylamino]propoxy}phenyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(4-{2-hydroxy-3-[(2H7)-2-propanylamino]propoxy}phényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[2-hydroxy-3-[[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]propoxy]- [ACD/Index Name]
1346598-79-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 486.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 247.8±27.3 °C
Index of Refraction: 1.535
Molar Refractivity: 76.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 247.0±3.0 cm3

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