ChemSpider 2D Image | 2-(Hydroxymethyl)-4-(1-hydroxy-2-{[2-methyl(~2~H_6_)-2-propanyl]amino}ethyl)phenol | C13H15D6NO3

2-(Hydroxymethyl)-4-(1-hydroxy-2-{[2-methyl(2H6)-2-propanyl]amino}ethyl)phenol

  • Molecular FormulaC13H15D6NO3
  • Average mass245.348 Da
  • Monoisotopic mass245.189804 Da
  • ChemSpider ID95714676

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Benzenedimethanol, 4-hydroxy-α1-[[[1-methyl-1-(methyl-d3)ethyl-2,2,2-d3]amino]methyl]- [ACD/Index Name]
2-(Hydroxymethyl)-4-(1-hydroxy-2-{[2-methyl(2H6)-2-propanyl]amino}ethyl)phenol [German] [ACD/IUPAC Name]
2-(Hydroxymethyl)-4-(1-hydroxy-2-{[2-methyl(2H6)-2-propanyl]amino}ethyl)phenol [ACD/IUPAC Name]
2-(Hydroxyméthyl)-4-(1-hydroxy-2-{[2-méthyl(2H6)-2-propanyl]amino}éthyl)phénol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 433.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 159.5±17.9 °C
Index of Refraction: 1.566
Molar Refractivity: 67.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -2.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 207.6±3.0 cm3

Click to predict properties on the Chemicalize site


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