ChemSpider 2D Image | 4-{[4-(3-Ethoxy-2-hydroxypropyl)-1-piperazinyl]carbonyl}-1-ethyl-2-pyrrolidinone | C16H29N3O4

4-{[4-(3-Ethoxy-2-hydroxypropyl)-1-piperazinyl]carbonyl}-1-ethyl-2-pyrrolidinone

  • Molecular FormulaC16H29N3O4
  • Average mass327.419 Da
  • Monoisotopic mass327.215820 Da
  • ChemSpider ID30357281

More details:

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

2-Pyrrolidinone, 4-[[4-(3-ethoxy-2-hydroxypropyl)-1-piperazinyl]carbonyl]-1-ethyl- [ACD/Index Name]
4-{[4-(3-Ethoxy-2-hydroxypropyl)-1-piperazinyl]carbonyl}-1-ethyl-2-pyrrolidinon [German] [ACD/IUPAC Name]
4-{[4-(3-Ethoxy-2-hydroxypropyl)-1-piperazinyl]carbonyl}-1-ethyl-2-pyrrolidinone [ACD/IUPAC Name]
4-{[4-(3-Éthoxy-2-hydroxypropyl)-1-pipérazinyl]carbonyl}-1-éthyl-2-pyrrolidinone [French] [ACD/IUPAC Name]
4-[4-(3-ETHOXY-2-HYDROXYPROPYL)PIPERAZINE-1-CARBONYL]-1-ETHYLPYRROLIDIN-2-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 547.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.0±6.0 kJ/mol
Flash Point: 284.7±30.1 °C
Index of Refraction: 1.525
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.59
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.36
Polar Surface Area: 73 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 281.1±3.0 cm3

Click to predict properties on the Chemicalize site


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