ChemSpider 2D Image | Dodecyl {1-[(4-nitrophenoxy)acetyl]-3-oxo-2-piperazinyl}acetate | C26H39N3O7

Dodecyl {1-[(4-nitrophenoxy)acetyl]-3-oxo-2-piperazinyl}acetate

  • Molecular FormulaC26H39N3O7
  • Average mass505.604 Da
  • Monoisotopic mass505.278809 Da
  • ChemSpider ID12570862

More details:

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

{1-[2-(4-Nitrophénoxy)acétyl]-3-oxo-2-pipérazinyl}acétate de dodécyle [French] [ACD/IUPAC Name]
2-Piperazineacetic acid, 1-[2-(4-nitrophenoxy)acetyl]-3-oxo-, dodecyl ester [ACD/Index Name]
Dodecyl {1-[(4-nitrophenoxy)acetyl]-3-oxo-2-piperazinyl}acetate [ACD/IUPAC Name]
Dodecyl-{1-[(4-nitrophenoxy)acetyl]-3-oxo-2-piperazinyl}acetat [German] [ACD/IUPAC Name]
2-piperazineacetic acid, 1-[(4-nitrophenoxy)acetyl]-3-oxo-, dodecyl ester
DODECYL 2-{1-[2-(4-NITROPHENOXY)ACETYL]-3-OXOPIPERAZIN-2-YL}ACETATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 707.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.7±32.9 °C
Index of Refraction: 1.521
Molar Refractivity: 134.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6498.50
ACD/KOC (pH 5.5): 18655.33
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6498.50
ACD/KOC (pH 7.4): 18655.33
Polar Surface Area: 131 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 440.7±3.0 cm3

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