ChemSpider 2D Image | Ethyl 4-{4-[(2-acetamidoethyl)amino]-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}-1-piperazinecarboxylate | C21H30N8O3

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

  • Molecular FormulaC21H30N8O3
  • Average mass442.515 Da
  • Monoisotopic mass442.244080 Da
  • ChemSpider ID124486292

More details:

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

1-Piperazinecarboxylic acid, 4-[4-[[2-(acetylamino)ethyl]amino]-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]-, ethyl ester [ACD/Index Name]
4-{4-[(2-Acétamidoéthyl)amino]-6-[(4-méthylphényl)amino]-1,3,5-triazin-2-yl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-[(2-acetamidoethyl)amino]-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{4-[(2-acetamidoethyl)amino]-6-[(4-methylphenyl)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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 121.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.65
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 31.57
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 5.97
ACD/KOC (pH 7.4): 123.69
Polar Surface Area: 125 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 343.8±3.0 cm3

Click to predict properties on the Chemicalize site


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