ChemSpider 2D Image | Ethyl 2-{4-[5-amino-4-(ethoxycarbonyl)-1H-imidazol-1-yl]-1-piperidinyl}-3-nitroisonicotinate | C19H24N6O6

Ethyl 2-{4-[5-amino-4-(ethoxycarbonyl)-1H-imidazol-1-yl]-1-piperidinyl}-3-nitroisonicotinate

  • Molecular FormulaC19H24N6O6
  • Average mass432.431 Da
  • Monoisotopic mass432.175720 Da
  • ChemSpider ID65283591

More details:

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

2-{4-[5-Amino-4-(éthoxycarbonyl)-1H-imidazol-1-yl]-1-pipéridinyl}-3-nitroisonicotinate d'éthyle [French] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 2-[4-[5-amino-4-(ethoxycarbonyl)-1H-imidazol-1-yl]-1-piperidinyl]-3-nitro-, ethyl ester [ACD/Index Name]
Ethyl 2-{4-[5-amino-4-(ethoxycarbonyl)-1H-imidazol-1-yl]-1-piperidinyl}-3-nitroisonicotinate [ACD/IUPAC Name]
Ethyl-2-{4-[5-amino-4-(ethoxycarbonyl)-1H-imidazol-1-yl]-1-piperidinyl}-3-nitroisonicotinat [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: 677.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.3±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 108.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.01
ACD/KOC (pH 5.5): 683.37
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.49
ACD/KOC (pH 7.4): 709.47
Polar Surface Area: 158 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 291.6±7.0 cm3

Click to predict properties on the Chemicalize site


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