ChemSpider 2D Image | Ethyl 4-({4-[(3,5-dinitrobenzoyl)amino]butanoyl}amino)-1-piperidinecarboxylate | C19H25N5O8

Ethyl 4-({4-[(3,5-dinitrobenzoyl)amino]butanoyl}amino)-1-piperidinecarboxylate

  • Molecular FormulaC19H25N5O8
  • Average mass451.431 Da
  • Monoisotopic mass451.170319 Da
  • ChemSpider ID60213112

More details:

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

1-Piperidinecarboxylic acid, 4-[[4-[(3,5-dinitrobenzoyl)amino]-1-oxobutyl]amino]-, ethyl ester [ACD/Index Name]
4-({4-[(3,5-Dinitrobenzoyl)amino]butanoyl}amino)-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({4-[(3,5-dinitrobenzoyl)amino]butanoyl}amino)-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({4-[(3,5-dinitrobenzoyl)amino]butanoyl}amino)-1-piperidincarboxylat [German] [ACD/IUPAC 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: 680.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.4±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.28
ACD/KOC (pH 5.5): 98.61
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.28
ACD/KOC (pH 7.4): 98.61
Polar Surface Area: 179 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 325.4±5.0 cm3

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