ChemSpider 2D Image | N-(3-Chloro-4-methylbenzyl)-4-(3-fluorophenyl)tetrahydro-2H-pyran-4-amine | C19H21ClFNO

N-(3-Chloro-4-methylbenzyl)-4-(3-fluorophenyl)tetrahydro-2H-pyran-4-amine

  • Molecular FormulaC19H21ClFNO
  • Average mass333.828 Da
  • Monoisotopic mass333.129578 Da
  • ChemSpider ID65131989

More details:

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

2H-Pyran-4-amine, N-[(3-chloro-4-methylphenyl)methyl]-4-(3-fluorophenyl)tetrahydro- [ACD/Index Name]
N-(3-Chlor-4-methylbenzyl)-4-(3-fluorphenyl)tetrahydro-2H-pyran-4-amin [German] [ACD/IUPAC Name]
N-(3-Chloro-4-methylbenzyl)-4-(3-fluorophenyl)tetrahydro-2H-pyran-4-amine [ACD/IUPAC Name]
N-(3-Chloro-4-méthylbenzyl)-4-(3-fluorophényl)tétrahydro-2H-pyran-4-amine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 447.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.5±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 92.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 64.68
ACD/KOC (pH 5.5): 218.00
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2124.23
ACD/KOC (pH 7.4): 7160.00
Polar Surface Area: 21 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 275.3±5.0 cm3

Click to predict properties on the Chemicalize site


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