ChemSpider 2D Image | 4-[3-Amino-6-(3,4,5-trimethoxyphenyl)-2-pyrazinyl]-2-methylbenzoic acid | C21H21N3O5

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

  • Molecular FormulaC21H21N3O5
  • Average mass395.409 Da
  • Monoisotopic mass395.148132 Da
  • ChemSpider ID25057350

More details:






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

4-[3-Amino-6-(3,4,5-trimethoxyphenyl)-2-pyrazinyl]-2-methylbenzoesäure [German] [ACD/IUPAC Name]
4-[3-Amino-6-(3,4,5-trimethoxyphenyl)-2-pyrazinyl]-2-methylbenzoic acid [ACD/IUPAC Name]
4-[3-Amino-6-(3,4,5-Trimethoxyphenyl)pyrazin-2-Yl]-2-Methylbenzoic Acid
Acide 4-[3-amino-6-(3,4,5-triméthoxyphényl)-2-pyrazinyl]-2-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-amino-6-(3,4,5-trimethoxyphenyl)-2-pyrazinyl]-2-methyl- [ACD/Index Name]
4VQ

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

Density: 1.3±0.1 g/cm3
Boiling Point: 551.8±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: 287.5±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 107.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 8.26
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.70
Polar Surface Area: 117 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 309.5±3.0 cm3

Click to predict properties on the Chemicalize site






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