ChemSpider 2D Image | 2-(4-Chlorophenyl)-3-(isopropyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid | C17H24ClNO4

2-(4-Chlorophenyl)-3-(isopropyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid

  • Molecular FormulaC17H24ClNO4
  • Average mass341.830 Da
  • Monoisotopic mass341.139374 Da
  • ChemSpider ID45092935

More details:






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

2-(4-Chlorophenyl)-3-(isopropyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid [ACD/IUPAC Name]
2-(4-Chlorphenyl)-3-(isopropyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propansäure [German] [ACD/IUPAC Name]
Acide 2-(4-chlorophényl)-3-(isopropyl{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-chloro-α-[[[(1,1-dimethylethoxy)carbonyl](1-methylethyl)amino]methyl]- [ACD/Index Name]
1000985-05-6 [RN]
1001179-33-4 [RN]
3-{[(tert-butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acid
MFCD27995653
MFCD29048717

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

Density: 1.2±0.1 g/cm3
Boiling Point: 453.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 227.9±27.3 °C
Index of Refraction: 1.530
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 20.02
ACD/KOC (pH 5.5): 91.26
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.19
Polar Surface Area: 67 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 289.3±3.0 cm3

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