ChemSpider 2D Image | KF-41399 | C27H26BrN3O3

KF-41399

  • Molecular FormulaC27H26BrN3O3
  • Average mass520.418 Da
  • Monoisotopic mass519.115723 Da
  • ChemSpider ID8133920

More details:

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

1O4ZQN497P
291312-23-7 [RN]
4-(2-Brom-6-{[1-(dimethylamino)-2-propanyl]oxy}phenyl)-2,6-dimethylpyrrolo[3,4-c]carbazol-1,3(2H,6H)-dion [German] [ACD/IUPAC Name]
4-(2-Bromo-6-{[1-(dimethylamino)-2-propanyl]oxy}phenyl)-2,6-dimethylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione [ACD/IUPAC Name]
4-(2-Bromo-6-{[1-(diméthylamino)-2-propanyl]oxy}phényl)-2,6-diméthylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione [French] [ACD/IUPAC Name]
KF-41399
Pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione, 4-[2-bromo-6-[2-(dimethylamino)-1-methylethoxy]phenyl]-2,6-dimethyl- [ACD/Index Name]
UNII:1O4ZQN497P

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

Density: 1.4±0.1 g/cm3
Boiling Point: 587.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.0±30.1 °C
Index of Refraction: 1.665
Molar Refractivity: 135.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 8.43
ACD/KOC (pH 5.5): 24.87
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 287.61
ACD/KOC (pH 7.4): 848.22
Polar Surface Area: 55 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 365.9±7.0 cm3

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