ChemSpider 2D Image | 4-[2-{Benzyl[6-(4-phenylbutoxy)hexyl]amino}-1-hydroxy(1-~2~H)ethyl]-2-[hydroxy(~2~H_2_)methyl]phenol | C32H40D3NO4

4-[2-{Benzyl[6-(4-phenylbutoxy)hexyl]amino}-1-hydroxy(1-2H)ethyl]-2-[hydroxy(2H2)methyl]phenol

  • Molecular FormulaC32H40D3NO4
  • Average mass508.707 Da
  • Monoisotopic mass508.338043 Da
  • ChemSpider ID9039411

  • 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-(4-phenylbutoxy)hexyl](phenylmethyl)amino]methyl]- [ACD/Index Name]
4-[2-{Benzyl[6-(4-phenylbutoxy)hexyl]amino}-1-hydroxy(1-2H)ethyl]-2-[hydroxy(2H2)methyl]phenol [ACD/IUPAC Name]
4-[2-{Benzyl[6-(4-phenylbutoxy)hexyl]amino}-1-hydroxy(1-2H)ethyl]-2-[hydroxy(2H2)methyl]phenol [German] [ACD/IUPAC Name]
4-[2-{Benzyl[6-(4-phénylbutoxy)hexyl]amino}-1-hydroxy(1-2H)éthyl]-2-[hydroxy(2H2)méthyl]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: 662.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.2±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 62.02
ACD/KOC (pH 5.5): 166.61
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 2878.01
ACD/KOC (pH 7.4): 7731.21
Polar Surface Area: 73 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 449.3±3.0 cm3

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