ChemSpider 2D Image | 3-{[1-(Carbamoylamino)-2-methyl-2-propanyl]amino}-2-hydroxy(~2~H_5_)propyl 2-fluorobenzoate | C15H17D5FN3O4

3-{[1-(Carbamoylamino)-2-methyl-2-propanyl]amino}-2-hydroxy(2H5)propyl 2-fluorobenzoate

  • Molecular FormulaC15H17D5FN3O4
  • Average mass332.382 Da
  • Monoisotopic mass332.190826 Da
  • ChemSpider ID107434737

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Fluorobenzoate de 3-{[1-(carbamoylamino)-2-méthyl-2-propanyl]amino}-2-hydroxy(2H5)propyle [French] [ACD/IUPAC Name]
3-{[1-(Carbamoylamino)-2-methyl-2-propanyl]amino}-2-hydroxy(2H5)propyl 2-fluorobenzoate [ACD/IUPAC Name]
3-{[1-(Carbamoylamino)-2-methyl-2-propanyl]amino}-2-hydroxy(2H5)propyl-2-fluorbenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-fluoro-, 3-[[2-[(aminocarbonyl)amino]-1,1-dimethylethyl]amino]-2-hydroxypropyl-1,1,2,3,3-d5 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: 491.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 250.9±28.7 °C
Index of Refraction: 1.540
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.17
Polar Surface Area: 114 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 263.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement