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

Ethyl 1-({3-[(3,5-dinitrobenzoyl)amino]propyl}carbamoyl)-3-piperidinecarboxylate

  • Molecular FormulaC19H25N5O8
  • Average mass451.431 Da
  • Monoisotopic mass451.170319 Da
  • ChemSpider ID59211997

More details:

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

1-({3-[(3,5-Dinitrobenzoyl)amino]propyl}carbamoyl)-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[[[3-[(3,5-dinitrobenzoyl)amino]propyl]amino]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-({3-[(3,5-dinitrobenzoyl)amino]propyl}carbamoyl)-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-({3-[(3,5-dinitrobenzoyl)amino]propyl}carbamoyl)-3-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: 677.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.6±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 110.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.84
ACD/KOC (pH 5.5): 178.84
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.84
ACD/KOC (pH 7.4): 178.84
Polar Surface Area: 179 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 333.1±3.0 cm3

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