ChemSpider 2D Image | Diethyl [(2,4-dinitrophenyl)(4-hydroxybutyl)amino]malonate | C17H23N3O9

Diethyl [(2,4-dinitrophenyl)(4-hydroxybutyl)amino]malonate

  • Molecular FormulaC17H23N3O9
  • Average mass413.379 Da
  • Monoisotopic mass413.143433 Da
  • ChemSpider ID108612762

More details:

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

[(2,4-Dinitrophényl)(4-hydroxybutyl)amino]malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [(2,4-dinitrophenyl)(4-hydroxybutyl)amino]malonate [ACD/IUPAC Name]
Diethyl-[(2,4-dinitrophenyl)(4-hydroxybutyl)amino]malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[(2,4-dinitrophenyl)(4-hydroxybutyl)amino]-, diethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 571.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 299.1±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.03
ACD/KOC (pH 5.5): 443.70
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.03
ACD/KOC (pH 7.4): 443.70
Polar Surface Area: 168 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

Click to predict properties on the Chemicalize site


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