ChemSpider 2D Image | Aplyzanzine A | C25H33Br4N3O3

Aplyzanzine A

  • Molecular FormulaC25H33Br4N3O3
  • Average mass743.164 Da
  • Monoisotopic mass738.925537 Da
  • ChemSpider ID28522664
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3,5-Dibrom-N-(2-{3,5-dibrom-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-Nα,Nα,O-trimethyl-L-tyrosinamid [German] [ACD/IUPAC Name]
3,5-Dibromo-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-Nα,Nα,O-trimethyl-L-tyrosinamide [ACD/IUPAC Name]
3,5-Dibromo-N-(2-{3,5-dibromo-4-[3-(diméthylamino)propoxy]phényl}éthyl)-Nα,Nα,O-triméthyl-L-tyrosinamide [French] [ACD/IUPAC Name]
Aplyzanzine A [Wiki]
Benzenepropanamide, 3,5-dibromo-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-α-(dimethylamino)-4-methoxy-, (αS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 729.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 394.9±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 3.19
ACD/KOC (pH 5.5): 6.39
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 287.11
ACD/KOC (pH 7.4): 574.84
Polar Surface Area: 54 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 465.1±3.0 cm3

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