ChemSpider 2D Image | 2-(Diethylcarbamoyl)isonicotinic acid | C11H14N2O3

2-(Diethylcarbamoyl)isonicotinic acid

  • Molecular FormulaC11H14N2O3
  • Average mass222.240 Da
  • Monoisotopic mass222.100449 Da
  • ChemSpider ID28677741

More details:






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

2-(Diethylcarbamoyl)isonicotinic acid [ACD/IUPAC Name]
2-(Diethylcarbamoyl)isonicotinsäure [German] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 2-[(diethylamino)carbonyl]- [ACD/Index Name]
Acide 2-(diéthylcarbamoyl)isonicotinique [French] [ACD/IUPAC Name]
117517-22-3 [RN]
1823776-81-3 [RN]
2-(DIETHYLCARBAMOYL)PYRIDINE-4-CARBOXYLIC ACID
MFCD28043733
Pyridine-2,4-dicarboxylic-diethylamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 498.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 255.4±24.6 °C
Index of Refraction: 1.555
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 183.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement