ChemSpider 2D Image | 4-({2-[(2,4-Dinitrophenyl)amino]ethyl}amino)-4-oxobutanoic acid | C12H14N4O7

4-({2-[(2,4-Dinitrophenyl)amino]ethyl}amino)-4-oxobutanoic acid

  • Molecular FormulaC12H14N4O7
  • Average mass326.262 Da
  • Monoisotopic mass326.086243 Da
  • ChemSpider ID35782459

More details:

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

4-({2-[(2,4-Dinitrophenyl)amino]ethyl}amino)-4-oxobutanoic acid [ACD/IUPAC Name]
4-({2-[(2,4-Dinitrophenyl)amino]ethyl}amino)-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-({2-[(2,4-dinitrophényl)amino]éthyl}amino)-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-[(2,4-dinitrophenyl)amino]ethyl]amino]-4-oxo- [ACD/Index Name]
4-{[2-(2,4-Dinitroanilino)ethyl]amino}-4-oxobutanoic acid
64448-32-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 679.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 364.9±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 77.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.95
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 73.2±3.0 dyne/cm
Molar Volume: 215.7±3.0 cm3

Click to predict properties on the Chemicalize site


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