ChemSpider 2D Image | 5-[(4-Aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione | C21H24N4O5

5-[(4-Aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione

  • Molecular FormulaC21H24N4O5
  • Average mass412.439 Da
  • Monoisotopic mass412.174683 Da
  • ChemSpider ID26328342

More details:

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

1H-Indole-4,7-dione, 5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]- [ACD/Index Name]
5-[(4-Aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indol-4,7-dion [German] [ACD/IUPAC Name]
5-[(4-Aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione [ACD/IUPAC Name]
5-[(4-Aminobutyl)amino]-1,2-diméthyl-3-[(4-nitrophénoxy)méthyl]-1H-indole-4,7-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 685.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.1±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 109.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 301.8±7.0 cm3

Click to predict properties on the Chemicalize site


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