ChemSpider 2D Image | 1-Oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propanyl 4-hydroxyundecanoate | C22H36N4O4

1-Oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propanyl 4-hydroxyundecanoate

  • Molecular FormulaC22H36N4O4
  • Average mass420.546 Da
  • Monoisotopic mass420.273651 Da
  • ChemSpider ID30277724

More details:

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

1-Oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propanyl 4-hydroxyundecanoate [ACD/IUPAC Name]
1-Oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propanyl-4-hydroxyundecanoat [German] [ACD/IUPAC Name]
4-Hydroxyundécanoate de 1-oxo-1-[4-(2-pyrimidinyl)-1-pipérazinyl]-2-propanyle [French] [ACD/IUPAC Name]
Undecanoic acid, 4-hydroxy-, 1-methyl-2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl ester [ACD/Index Name]
1-OXO-1-[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]PROPAN-2-YL 4-HYDROXYUNDECANOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 619.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 328.4±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 114.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 230.11
ACD/KOC (pH 5.5): 1607.54
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 283.51
ACD/KOC (pH 7.4): 1980.57
Polar Surface Area: 96 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 370.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement