ChemSpider 2D Image | 2-[4-(2-Methyl-2-propanyl)benzyl]-4-phenyl-1,2,3,4-tetrahydrobenzo[h]isoquinoline | C30H31N

2-[4-(2-Methyl-2-propanyl)benzyl]-4-phenyl-1,2,3,4-tetrahydrobenzo[h]isoquinoline

  • Molecular FormulaC30H31N
  • Average mass405.574 Da
  • Monoisotopic mass405.245636 Da
  • ChemSpider ID98611403

More details:

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

2-[4-(2-Methyl-2-propanyl)benzyl]-4-phenyl-1,2,3,4-tetrahydrobenzo[h]isochinolin [German] [ACD/IUPAC Name]
2-[4-(2-Méthyl-2-propanyl)benzyl]-4-phényl-1,2,3,4-tétrahydrobenzo[h]isoquinoléine [French] [ACD/IUPAC Name]
2-[4-(2-Methyl-2-propanyl)benzyl]-4-phenyl-1,2,3,4-tetrahydrobenzo[h]isoquinoline [ACD/IUPAC Name]
Benz[h]isoquinoline, 2-[[4-(1,1-dimethylethyl)phenyl]methyl]-1,2,3,4-tetrahydro-4-phenyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 540.8±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 241.3±18.4 °C
Index of Refraction: 1.630
Molar Refractivity: 131.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 6.17
ACD/BCF (pH 5.5): 12367.51
ACD/KOC (pH 5.5): 10919.26
ACD/LogD (pH 7.4): 7.54
ACD/BCF (pH 7.4): 290526.84
ACD/KOC (pH 7.4): 256505.80
Polar Surface Area: 3 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 370.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement