ChemSpider 2D Image | 4-[3-Amino-6-(3,4,5-trimethoxyphenyl)-2-pyrazinyl]benzoic acid | C20H19N3O5

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

  • Molecular FormulaC20H19N3O5
  • Average mass381.382 Da
  • Monoisotopic mass381.132477 Da
  • ChemSpider ID25059145

More details:






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

4-[3-Amino-6-(3,4,5-trimethoxyphenyl)-2-pyrazinyl]benzoesäure [German] [ACD/IUPAC Name]
4-[3-Amino-6-(3,4,5-trimethoxyphenyl)-2-pyrazinyl]benzoic acid [ACD/IUPAC Name]
4-[3-Amino-6-(3,4,5-Trimethoxyphenyl)pyrazin-2-Yl]benzoic Acid
Acide 4-[3-amino-6-(3,4,5-triméthoxyphényl)-2-pyrazinyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-amino-6-(3,4,5-trimethoxyphenyl)-2-pyrazinyl]- [ACD/Index Name]
T3M

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 551.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 287.6±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 102.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 17.06
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.28
Polar Surface Area: 117 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 293.3±3.0 cm3

Click to predict properties on the Chemicalize site






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