ChemSpider 2D Image | 2-[Hydroxy(~2~H_2_)methyl]-4-[1-hydroxy-2-{[6-(3-phenylpropoxy)hexyl]amino}(1-~2~H)ethyl]phenol | C24H32D3NO4

2-[Hydroxy(2H2)methyl]-4-[1-hydroxy-2-{[6-(3-phenylpropoxy)hexyl]amino}(1-2H)ethyl]phenol

  • Molecular FormulaC24H32D3NO4
  • Average mass404.557 Da
  • Monoisotopic mass404.275452 Da
  • ChemSpider ID58783018

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Benzenedimethan-α1,α1,α3-d3-ol, 6-hydroxy-α3-[[[6-(3-phenylpropoxy)hexyl]amino]methyl]- [ACD/Index Name]
2-[Hydroxy(2H2)methyl]-4-[1-hydroxy-2-{[6-(3-phenylpropoxy)hexyl]amino}(1-2H)ethyl]phenol [German] [ACD/IUPAC Name]
2-[Hydroxy(2H2)methyl]-4-[1-hydroxy-2-{[6-(3-phenylpropoxy)hexyl]amino}(1-2H)ethyl]phenol [ACD/IUPAC Name]
2-[Hydroxy(2H2)méthyl]-4-[1-hydroxy-2-{[6-(3-phénylpropoxy)hexyl]amino}(1-2H)éthyl]phénol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 593.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 312.9±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 117.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 2.71
ACD/KOC (pH 7.4): 20.20
Polar Surface Area: 82 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 357.2±3.0 cm3

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