ChemSpider 2D Image | N-{3-Nitro-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]benzoyl}glutamic acid | C18H21N3O9

N-{3-Nitro-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]benzoyl}glutamic acid

  • Molecular FormulaC18H21N3O9
  • Average mass423.374 Da
  • Monoisotopic mass423.127777 Da
  • ChemSpider ID120073070

More details:

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

Acide N-{3-nitro-4-[2-oxo-2-(1-pyrrolidinyl)éthoxy]benzoyl}glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[3-nitro-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]benzoyl]- [ACD/Index Name]
N-{3-Nitro-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]benzoyl}glutamic acid [ACD/IUPAC Name]
N-{3-Nitro-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]benzoyl}glutaminsäure [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 749.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 407.1±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 99.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -3.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 287.3±3.0 cm3

Click to predict properties on the Chemicalize site


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