ChemSpider 2D Image | 2-(3-{Bis[(~2~H_7_)-2-propanyl]amino}-1-phenylpropyl)-4-(hydroxymethyl)phenyl 2-methylpropanoate | C26H23D14NO3

2-(3-{Bis[(2H7)-2-propanyl]amino}-1-phenylpropyl)-4-(hydroxymethyl)phenyl 2-methylpropanoate

  • Molecular FormulaC26H23D14NO3
  • Average mass425.663 Da
  • Monoisotopic mass425.365204 Da
  • ChemSpider ID78057714

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(3-{Bis[(2H7)-2-propanyl]amino}-1-phenylpropyl)-4-(hydroxymethyl)phenyl 2-methylpropanoate [ACD/IUPAC Name]
2-(3-{Bis[(2H7)-2-propanyl]amino}-1-phenylpropyl)-4-(hydroxymethyl)phenyl-2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de 2-(3-{bis[(2H7)-2-propanyl]amino}-1-phénylpropyl)-4-(hydroxyméthyl)phényle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, 2-[3-[bis[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 518.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.6±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 123.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 3.69
ACD/KOC (pH 5.5): 11.69
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 6.63
ACD/KOC (pH 7.4): 21.01
Polar Surface Area: 50 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 394.5±3.0 cm3

Click to predict properties on the Chemicalize site


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