ChemSpider 2D Image | Ethyl N-({3-[(3,5-dinitrobenzoyl)amino]-1-piperidinyl}carbonyl)-N-methyl-beta-alaninate | C19H25N5O8

Ethyl N-({3-[(3,5-dinitrobenzoyl)amino]-1-piperidinyl}carbonyl)-N-methyl-β-alaninate

  • Molecular FormulaC19H25N5O8
  • Average mass451.431 Da
  • Monoisotopic mass451.170319 Da
  • ChemSpider ID59321611

More details:

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

Ethyl N-({3-[(3,5-dinitrobenzoyl)amino]-1-piperidinyl}carbonyl)-N-methyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-({3-[(3,5-dinitrobenzoyl)amino]-1-piperidinyl}carbonyl)-N-methyl-β-alaninat [German] [ACD/IUPAC Name]
N-({3-[(3,5-Dinitrobenzoyl)amino]-1-pipéridinyl}carbonyl)-N-méthyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[3-[(3,5-dinitrobenzoyl)amino]-1-piperidinyl]carbonyl]-N-methyl-, ethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 630.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.3±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 110.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.95
ACD/KOC (pH 5.5): 296.54
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.95
ACD/KOC (pH 7.4): 296.54
Polar Surface Area: 171 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 324.2±5.0 cm3

Click to predict properties on the Chemicalize site


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