ChemSpider 2D Image | Methyl 1-({2-[(3,5-dinitrobenzoyl)amino]ethyl}carbamoyl)-4-piperidinecarboxylate | C17H21N5O8

Methyl 1-({2-[(3,5-dinitrobenzoyl)amino]ethyl}carbamoyl)-4-piperidinecarboxylate

  • Molecular FormulaC17H21N5O8
  • Average mass423.377 Da
  • Monoisotopic mass423.139008 Da
  • ChemSpider ID59572256

More details:

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

1-({2-[(3,5-Dinitrobenzoyl)amino]éthyl}carbamoyl)-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[[2-[(3,5-dinitrobenzoyl)amino]ethyl]amino]carbonyl]-, methyl ester [ACD/Index Name]
Methyl 1-({2-[(3,5-dinitrobenzoyl)amino]ethyl}carbamoyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-({2-[(3,5-dinitrobenzoyl)amino]ethyl}carbamoyl)-4-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: 663.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.3±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 101.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.02
ACD/KOC (pH 5.5): 94.27
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.02
ACD/KOC (pH 7.4): 94.27
Polar Surface Area: 179 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 300.1±3.0 cm3

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