ChemSpider 2D Image | 3-Bromo-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-Nalpha,O-dimethyl-L-tyrosinamide | C24H32Br3N3O3

3-Bromo-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-Nα,O-dimethyl-L-tyrosinamide

  • Molecular FormulaC24H32Br3N3O3
  • Average mass650.241 Da
  • Monoisotopic mass646.999329 Da
  • ChemSpider ID8434200
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-Brom-N-(2-{3,5-dibrom-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-Nα,O-dimethyl-L-tyrosinamid [German] [ACD/IUPAC Name]
3-Bromo-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-Nα,O-dimethyl-L-tyrosinamide [ACD/IUPAC Name]
3-Bromo-N-(2-{3,5-dibromo-4-[3-(diméthylamino)propoxy]phényl}éthyl)-Nα,O-diméthyl-L-tyrosinamide [French] [ACD/IUPAC Name]
Benzenepropanamide, 3-bromo-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-4-methoxy-α-(methylamino)-, (αS)- [ACD/Index Name]
suberedamine B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 702.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.5±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 144.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 20.58
ACD/KOC (pH 7.4): 73.18
Polar Surface Area: 63 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 433.9±3.0 cm3

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