ChemSpider 2D Image | 4-[(4-Methyl-2-nitrophenyl)amino]-4-oxobutanoic acid | C11H12N2O5

4-[(4-Methyl-2-nitrophenyl)amino]-4-oxobutanoic acid

  • Molecular FormulaC11H12N2O5
  • Average mass252.223 Da
  • Monoisotopic mass252.074615 Da
  • ChemSpider ID23646009

More details:

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

4-[(4-Methyl-2-nitrophenyl)amino]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[(4-Methyl-2-nitrophenyl)amino]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[(4-méthyl-2-nitrophényl)amino]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(4-methyl-2-nitrophenyl)amino]-4-oxo- [ACD/Index Name]
3-[(4-METHYL-2-NITROPHENYL)CARBAMOYL]PROPANOIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 533.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 276.3±28.7 °C
Index of Refraction: 1.621
Molar Refractivity: 62.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.79
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 178.3±3.0 cm3

Click to predict properties on the Chemicalize site


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