ChemSpider 2D Image | 3,5-Dibromo-N-(3-{2,6-dibromo-4-[2-(dimethylamino)ethyl]phenoxy}propyl)-Nalpha,O-dimethyltyrosinamide | C24H31Br4N3O3

3,5-Dibromo-N-(3-{2,6-dibromo-4-[2-(dimethylamino)ethyl]phenoxy}propyl)-Nα,O-dimethyltyrosinamide

  • Molecular FormulaC24H31Br4N3O3
  • Average mass729.137 Da
  • Monoisotopic mass724.909851 Da
  • ChemSpider ID159108

More details:






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

3,5-Dibrom-N-(3-{2,6-dibrom-4-[2-(dimethylamino)ethyl]phenoxy}propyl)-Nα,O-dimethyltyrosinamid [German] [ACD/IUPAC Name]
3,5-Dibromo-N-(3-{2,6-dibromo-4-[2-(dimethylamino)ethyl]phenoxy}propyl)-Nα,O-dimethyltyrosinamide [ACD/IUPAC Name]
3,5-Dibromo-N-(3-{2,6-dibromo-4-[2-(diméthylamino)éthyl]phénoxy}propyl)-Nα,O-diméthyltyrosinamide [French] [ACD/IUPAC Name]
Benzenepropanamide, 3,5-dibromo-N-[3-[2,6-dibromo-4-[2-(dimethylamino)ethyl]phenoxy]propyl]-4-methoxy-α-(methylamino)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 734.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.8±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 152.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 3.34
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 162.69
ACD/KOC (pH 7.4): 361.21
Polar Surface Area: 63 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 450.1±3.0 cm3

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