ChemSpider 2D Image | 4-[3-Amino-6-(3,4,5-trimethoxyphenyl)-2-pyrazinyl]-2-methoxybenzoic acid | C21H21N3O6

4-[3-Amino-6-(3,4,5-trimethoxyphenyl)-2-pyrazinyl]-2-methoxybenzoic acid

  • Molecular FormulaC21H21N3O6
  • Average mass411.408 Da
  • Monoisotopic mass411.143036 Da
  • ChemSpider ID25057942

More details:

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

4-[3-Amino-6-(3,4,5-trimethoxyphenyl)-2-pyrazinyl]-2-methoxybenzoesäure [German] [ACD/IUPAC Name]
4-[3-Amino-6-(3,4,5-trimethoxyphenyl)-2-pyrazinyl]-2-methoxybenzoic acid [ACD/IUPAC Name]
4-[3-Amino-6-(3,4,5-Trimethoxyphenyl)pyrazin-2-Yl]-2-Methoxybenzoic Acid
Acide 4-[3-amino-6-(3,4,5-triméthoxyphényl)-2-pyrazinyl]-2-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-amino-6-(3,4,5-trimethoxyphenyl)-2-pyrazinyl]-2-methoxy- [ACD/Index Name]
5R1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.5±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 109.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.04
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 317.3±3.0 cm3

Click to predict properties on the Chemicalize site


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