ChemSpider 2D Image | (2Z)-4-({2-[(2,4-Dinitrophenyl)amino]ethyl}amino)-4-oxo-2-butenoic acid | C12H12N4O7

(2Z)-4-({2-[(2,4-Dinitrophenyl)amino]ethyl}amino)-4-oxo-2-butenoic acid

  • Molecular FormulaC12H12N4O7
  • Average mass324.246 Da
  • Monoisotopic mass324.070587 Da
  • ChemSpider ID57488695

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4-({2-[(2,4-Dinitrophenyl)amino]ethyl}amino)-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2Z)-4-({2-[(2,4-Dinitrophenyl)amino]ethyl}amino)-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-[[2-[(2,4-dinitrophenyl)amino]ethyl]amino]-4-oxo-, (2Z)- [ACD/Index Name]
Acide (2Z)-4-({2-[(2,4-dinitrophényl)amino]éthyl}amino)-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]
(2Z)-3-({2-[(2,4-DINITROPHENYL)AMINO]ETHYL}CARBAMOYL)PROP-2-ENOIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 674.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 362.0±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.38
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 76.1±3.0 dyne/cm
Molar Volume: 209.3±3.0 cm3

Click to predict properties on the Chemicalize site


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