ChemSpider 2D Image | 3-(4-Phenylbutyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-1,7-diol | C20H25NO2

3-(4-Phenylbutyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-1,7-diol

  • Molecular FormulaC20H25NO2
  • Average mass311.418 Da
  • Monoisotopic mass311.188538 Da
  • ChemSpider ID26368292

More details:






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

1H-3-Benzazepine-1,7-diol, 2,3,4,5-tetrahydro-3-(4-phenylbutyl)- [ACD/Index Name]
3-(4-Phenylbutyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1,7-diol [German] [ACD/IUPAC Name]
3-(4-Phenylbutyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-1,7-diol [ACD/IUPAC Name]
3-(4-Phénylbutyl)-2,3,4,5-tétrahydro-1H-3-benzazépine-1,7-diol [French] [ACD/IUPAC Name]
WMS-1410

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

Density: 1.1±0.1 g/cm3
Boiling Point: 520.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 281.0±28.8 °C
Index of Refraction: 1.601
Molar Refractivity: 93.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.47
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 28.53
ACD/KOC (pH 7.4): 222.49
Polar Surface Area: 44 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 271.8±3.0 cm3

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