ChemSpider 2D Image | Ethyl 4-{4-[(2-hydroxyethyl)amino]-6-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1-piperazinecarboxylate | C21H31N7O6

Ethyl 4-{4-[(2-hydroxyethyl)amino]-6-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1-piperazinecarboxylate

  • Molecular FormulaC21H31N7O6
  • Average mass477.514 Da
  • Monoisotopic mass477.233582 Da
  • ChemSpider ID124579630

More details:

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

1-Piperazinecarboxylic acid, 4-[4-[(2-hydroxyethyl)amino]-6-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]-, ethyl ester [ACD/Index Name]
4-{4-[(2-Hydroxyéthyl)amino]-6-[(3,4,5-triméthoxyphényl)amino]-1,3,5-triazin-2-yl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-[(2-hydroxyethyl)amino]-6-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{4-[(2-hydroxyethyl)amino]-6-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 672.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.6±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -0.62
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.54
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 51.69
Polar Surface Area: 143 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 358.1±3.0 cm3

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