ChemSpider 2D Image | 5-Bromo-2-(3-methylbenzyl)-1,2,3,4-tetrahydroisoquinoline | C17H18BrN

5-Bromo-2-(3-methylbenzyl)-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC17H18BrN
  • Average mass316.236 Da
  • Monoisotopic mass315.062256 Da
  • ChemSpider ID22958258

More details:

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

5-Brom-2-(3-methylbenzyl)-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
5-Bromo-2-(3-méthylbenzyl)-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
5-Bromo-2-(3-methylbenzyl)-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 5-bromo-1,2,3,4-tetrahydro-2-[(3-methylphenyl)methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 397.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.0±27.9 °C
Index of Refraction: 1.620
Molar Refractivity: 83.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 33.20
ACD/KOC (pH 5.5): 115.89
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1403.76
ACD/KOC (pH 7.4): 4899.28
Polar Surface Area: 3 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 238.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement