ChemSpider 2D Image | Ethyl 4-{4-[(2-hydroxyethyl)amino]-6-[(4-methoxy-3-nitrophenyl)amino]-1,3,5-triazin-2-yl}-1-piperazinecarboxylate | C19H26N8O6

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

  • Molecular FormulaC19H26N8O6
  • Average mass462.460 Da
  • Monoisotopic mass462.197540 Da
  • ChemSpider ID124705058

More details:

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

1-Piperazinecarboxylic acid, 4-[4-[(2-hydroxyethyl)amino]-6-[(4-methoxy-3-nitrophenyl)amino]-1,3,5-triazin-2-yl]-, ethyl ester [ACD/Index Name]
4-{4-[(2-Hydroxyéthyl)amino]-6-[(4-méthoxy-3-nitrophényl)amino]-1,3,5-triazin-2-yl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-[(2-hydroxyethyl)amino]-6-[(4-methoxy-3-nitrophenyl)amino]-1,3,5-triazin-2-yl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{4-[(2-hydroxyethyl)amino]-6-[(4-methoxy-3-nitrophenyl)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: 1.4±0.1 g/cm3
Boiling Point: 700.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 377.5±35.7 °C
Index of Refraction: 1.656
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.58
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 34.29
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 50.63
Polar Surface Area: 171 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 78.8±3.0 dyne/cm
Molar Volume: 321.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement