ChemSpider 2D Image | 3-(4-Bromobenzyl)-2,3,4,5-tetrahydro-1H-3-benzazepine | C17H18BrN

3-(4-Bromobenzyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

  • Molecular FormulaC17H18BrN
  • Average mass316.236 Da
  • Monoisotopic mass315.062256 Da
  • ChemSpider ID46157640

More details:

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

1H-3-Benzazepine, 3-[(4-bromophenyl)methyl]-2,3,4,5-tetrahydro- [ACD/Index Name]
3-(4-Brombenzyl)-2,3,4,5-tetrahydro-1H-3-benzazepin [German] [ACD/IUPAC Name]
3-(4-Bromobenzyl)-2,3,4,5-tetrahydro-1H-3-benzazepine [ACD/IUPAC Name]
3-(4-Bromobenzyl)-2,3,4,5-tétrahydro-1H-3-benzazépine [French] [ACD/IUPAC 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: 408.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 201.1±25.9 °C
Index of Refraction: 1.614
Molar Refractivity: 83.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 7.82
ACD/KOC (pH 5.5): 25.61
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 337.16
ACD/KOC (pH 7.4): 1104.51
Polar Surface Area: 3 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 239.6±3.0 cm3

Click to predict properties on the Chemicalize site


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