ChemSpider 2D Image | Ethyl 5-amino-1-{2-[(2-ethoxy-2-oxoethyl)(2-methoxyethyl)amino]ethyl}-1H-pyrazole-4-carboxylate | C15H26N4O5

Ethyl 5-amino-1-{2-[(2-ethoxy-2-oxoethyl)(2-methoxyethyl)amino]ethyl}-1H-pyrazole-4-carboxylate

  • Molecular FormulaC15H26N4O5
  • Average mass342.391 Da
  • Monoisotopic mass342.190308 Da
  • ChemSpider ID30373367

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-amino-1-[2-[(2-ethoxy-2-oxoethyl)(2-methoxyethyl)amino]ethyl]-, ethyl ester [ACD/Index Name]
5-Amino-1-{2-[(2-éthoxy-2-oxoéthyl)(2-méthoxyéthyl)amino]éthyl}-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-amino-1-{2-[(2-ethoxy-2-oxoethyl)(2-methoxyethyl)amino]ethyl}-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-amino-1-{2-[(2-ethoxy-2-oxoethyl)(2-methoxyethyl)amino]ethyl}-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
ETHYL 5-AMINO-1-{2-[(2-ETHOXY-2-OXOETHYL)(2-METHOXYETHYL)AMINO]ETHYL}PYRAZOLE-4-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 478.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.2±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 87.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 6.64
ACD/KOC (pH 5.5): 113.47
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.09
ACD/KOC (pH 7.4): 206.55
Polar Surface Area: 109 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 280.1±7.0 cm3

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