ChemSpider 2D Image | 5-Butyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine | C20H25NS

5-Butyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine

  • Molecular FormulaC20H25NS
  • Average mass311.484 Da
  • Monoisotopic mass311.170776 Da
  • ChemSpider ID57478031

More details:

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

2H-1,6-Benzothiazocine, 5-butyl-3,4,5,6-tetrahydro-5-phenyl- [ACD/Index Name]
5-Butyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocin [German] [ACD/IUPAC Name]
5-Butyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine [ACD/IUPAC Name]
5-Butyl-5-phényl-3,4,5,6-tétrahydro-2H-1,6-benzothiazocine [French] [ACD/IUPAC Name]
87697-17-4 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 453.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.8±25.9 °C
Index of Refraction: 1.562
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18692.98
ACD/KOC (pH 5.5): 39514.11
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 19070.82
ACD/KOC (pH 7.4): 40312.80
Polar Surface Area: 37 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 300.5±3.0 cm3

Click to predict properties on the Chemicalize site


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