ChemSpider 2D Image | Isopropyl N-{[4-(2,6-dimethyl-4-morpholinyl)-3-fluorophenyl]carbamoyl}-beta-alaninate | C19H28FN3O4

Isopropyl N-{[4-(2,6-dimethyl-4-morpholinyl)-3-fluorophenyl]carbamoyl}-β-alaninate

  • Molecular FormulaC19H28FN3O4
  • Average mass381.442 Da
  • Monoisotopic mass381.206390 Da
  • ChemSpider ID31063550

More details:

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

Isopropyl N-{[4-(2,6-dimethyl-4-morpholinyl)-3-fluorophenyl]carbamoyl}-β-alaninate [ACD/IUPAC Name]
Isopropyl-N-{[4-(2,6-dimethyl-4-morpholinyl)-3-fluorphenyl]carbamoyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{[4-(2,6-Diméthyl-4-morpholinyl)-3-fluorophényl]carbamoyl}-β-alaninate d'isopropyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[[4-(2,6-dimethyl-4-morpholinyl)-3-fluorophenyl]amino]carbonyl]-, 1-methylethyl ester [ACD/Index 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: 492.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.3±28.7 °C
Index of Refraction: 1.529
Molar Refractivity: 100.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 19.39
ACD/KOC (pH 5.5): 174.66
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.25
ACD/KOC (pH 7.4): 984.18
Polar Surface Area: 80 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 325.2±3.0 cm3

Click to predict properties on the Chemicalize site


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