ChemSpider 2D Image | 4-{[(3-Fluoro-5-methoxy-2-nitrophenyl)amino]methyl}-N,N-dimethyltetrahydro-2H-pyran-4-amine | C15H22FN3O4

4-{[(3-Fluoro-5-methoxy-2-nitrophenyl)amino]methyl}-N,N-dimethyltetrahydro-2H-pyran-4-amine

  • Molecular FormulaC15H22FN3O4
  • Average mass327.351 Da
  • Monoisotopic mass327.159424 Da
  • ChemSpider ID30452763

More details:

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

2H-Pyran-4-methanamine, 4-(dimethylamino)-N-(3-fluoro-5-methoxy-2-nitrophenyl)tetrahydro- [ACD/Index Name]
4-{[(3-Fluor-5-methoxy-2-nitrophenyl)amino]methyl}-N,N-dimethyltetrahydro-2H-pyran-4-amin [German] [ACD/IUPAC Name]
4-{[(3-Fluoro-5-methoxy-2-nitrophenyl)amino]methyl}-N,N-dimethyltetrahydro-2H-pyran-4-amine [ACD/IUPAC Name]
4-{[(3-Fluoro-5-méthoxy-2-nitrophényl)amino]méthyl}-N,N-diméthyltétrahydro-2H-pyran-4-amine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 476.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 242.1±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 83.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.55
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 12.12
ACD/KOC (pH 7.4): 130.10
Polar Surface Area: 80 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 261.5±5.0 cm3

Click to predict properties on the Chemicalize site


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