ChemSpider 2D Image | 1-(2,6-Difluorobenzyl)-4-methyl-1,4-diazepane | C13H18F2N2

1-(2,6-Difluorobenzyl)-4-methyl-1,4-diazepane

  • Molecular FormulaC13H18F2N2
  • Average mass240.292 Da
  • Monoisotopic mass240.143799 Da
  • ChemSpider ID21627838

More details:

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

1-(2,6-Difluorbenzyl)-4-methyl-1,4-diazepan [German] [ACD/IUPAC Name]
1-(2,6-Difluorobenzyl)-4-methyl-1,4-diazepane [ACD/IUPAC Name]
1-(2,6-Difluorobenzyl)-4-méthyl-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(2,6-difluorophenyl)methyl]hexahydro-4-methyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 281.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.1±3.0 kJ/mol
Flash Point: 124.3±27.3 °C
Index of Refraction: 1.513
Molar Refractivity: 64.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.35
Polar Surface Area: 6 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 213.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement