ChemSpider 2D Image | Ethyl 4-(3-{1-[6-(ethylamino)-4-pyrimidinyl]-3-piperidinyl}propanoyl)-1-piperazinecarboxylate | C21H34N6O3

Ethyl 4-(3-{1-[6-(ethylamino)-4-pyrimidinyl]-3-piperidinyl}propanoyl)-1-piperazinecarboxylate

  • Molecular FormulaC21H34N6O3
  • Average mass418.533 Da
  • Monoisotopic mass418.269226 Da
  • ChemSpider ID29164419

More details:

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

1-Piperazinecarboxylic acid, 4-[3-[1-[6-(ethylamino)-4-pyrimidinyl]-3-piperidinyl]-1-oxopropyl]-, ethyl ester [ACD/Index Name]
4-(3-{1-[6-(Éthylamino)-4-pyrimidinyl]-3-pipéridinyl}propanoyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(3-{1-[6-(ethylamino)-4-pyrimidinyl]-3-piperidinyl}propanoyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(3-{1-[6-(ethylamino)-4-pyrimidinyl]-3-piperidinyl}propanoyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-(3-{1-[6-(ETHYLAMINO)PYRIMIDIN-4-YL]PIPERIDIN-3-YL}PROPANOYL)PIPERAZINE-1-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: 643.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.1±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 14.66
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 61.52
ACD/KOC (pH 7.4): 513.45
Polar Surface Area: 91 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 350.6±3.0 cm3

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