ChemSpider 2D Image | 3-[(3,5-Dinitrobenzoyl)amino]-N-[4-(1-pyrrolidinyl)butyl]-1-piperidinecarboxamide | C21H30N6O6

3-[(3,5-Dinitrobenzoyl)amino]-N-[4-(1-pyrrolidinyl)butyl]-1-piperidinecarboxamide

  • Molecular FormulaC21H30N6O6
  • Average mass462.500 Da
  • Monoisotopic mass462.222687 Da
  • ChemSpider ID59294356

More details:

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

1-Piperidinecarboxamide, 3-[(3,5-dinitrobenzoyl)amino]-N-[4-(1-pyrrolidinyl)butyl]- [ACD/Index Name]
3-[(3,5-Dinitrobenzoyl)amino]-N-[4-(1-pyrrolidinyl)butyl]-1-piperidincarboxamid [German] [ACD/IUPAC Name]
3-[(3,5-Dinitrobenzoyl)amino]-N-[4-(1-pyrrolidinyl)butyl]-1-piperidinecarboxamide [ACD/IUPAC Name]
3-[(3,5-Dinitrobenzoyl)amino]-N-[4-(1-pyrrolidinyl)butyl]-1-pipéridinecarboxamide [French] [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: 693.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.9±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 119.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 342.3±5.0 cm3

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