ChemSpider 2D Image | 2-[Hydroxy(~2~H_2_)methyl]-4-{1-hydroxy-2-[(2-methyl-2-propanyl)amino](1,2-~2~H_2_)ethyl}phenol | C13H17D4NO3

2-[Hydroxy(2H2)methyl]-4-{1-hydroxy-2-[(2-methyl-2-propanyl)amino](1,2-2H2)ethyl}phenol

  • Molecular FormulaC13H17D4NO3
  • Average mass243.335 Da
  • Monoisotopic mass243.177246 Da
  • ChemSpider ID77494452
  • Non-standard isotope - Non-standard isotope


More details:






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

1,3-Benzenedimethan113-d3-ol, α3-[[(1,1-dimethylethyl)amino]methyl-d]-6-hydroxy- [ACD/Index Name]
2-[Hydroxy(2H2)methyl]-4-{1-hydroxy-2-[(2-methyl-2-propanyl)amino](1,2-2H2)ethyl}phenol [German] [ACD/IUPAC Name]
2-[Hydroxy(2H2)methyl]-4-{1-hydroxy-2-[(2-methyl-2-propanyl)amino](1,2-2H2)ethyl}phenol [ACD/IUPAC Name]
2-[Hydroxy(2H2)méthyl]-4-{1-hydroxy-2-[(2-méthyl-2-propanyl)amino](1,2-2H2)éthyl}phénol [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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