ChemSpider 2D Image | Nonyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate | C30H38N4O4

Nonyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

  • Molecular FormulaC30H38N4O4
  • Average mass518.647 Da
  • Monoisotopic mass518.289307 Da
  • ChemSpider ID3067424

More details:

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

1H-Pyrrolo[2,3-b]quinoxaline-3-carboxylic acid, 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-, nonyl ester [ACD/Index Name]
2-Amino-1-[2-(3,4-diméthoxyphényl)éthyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate de nonyle [French] [ACD/IUPAC Name]
Nonyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate [ACD/IUPAC Name]
Nonyl-2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]chinoxalin-3-carboxylat [German] [ACD/IUPAC Name]
nonyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.5±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 147.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.77
ACD/LogD (pH 5.5): 8.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 873415.25
ACD/LogD (pH 7.4): 8.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 875543.88
Polar Surface Area: 101 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 431.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement