ChemSpider 2D Image | 6-(Butylamino)-2-{2-[(2-hydroxyethyl)amino]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione | C20H25N3O3

6-(Butylamino)-2-{2-[(2-hydroxyethyl)amino]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

  • Molecular FormulaC20H25N3O3
  • Average mass355.431 Da
  • Monoisotopic mass355.189606 Da
  • ChemSpider ID24808322

More details:

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

1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-(butylamino)-2-[2-[(2-hydroxyethyl)amino]ethyl]- [ACD/Index Name]
6-(Butylamino)-2-{2-[(2-hydroxyethyl)amino]ethyl}-1H-benzo[de]isochinolin-1,3(2H)-dion [German] [ACD/IUPAC Name]
6-(Butylamino)-2-{2-[(2-hydroxyéthyl)amino]éthyl}-1H-benzo[de]isoquinoléine-1,3(2H)-dione [French] [ACD/IUPAC Name]
6-(Butylamino)-2-{2-[(2-hydroxyethyl)amino]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione [ACD/IUPAC Name]
Kinome_3667

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

Density: 1.3±0.1 g/cm3
Boiling Point: 597.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.1±28.7 °C
Index of Refraction: 1.647
Molar Refractivity: 102.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 24.28
Polar Surface Area: 82 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 282.6±3.0 cm3

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