ChemSpider 2D Image | N~1~-{3-[(3,5-Dinitrobenzoyl)amino]propyl}-1,4-piperidinedicarboxamide | C17H22N6O7

N1-{3-[(3,5-Dinitrobenzoyl)amino]propyl}-1,4-piperidinedicarboxamide

  • Molecular FormulaC17H22N6O7
  • Average mass422.393 Da
  • Monoisotopic mass422.154999 Da
  • ChemSpider ID59589705

More details:

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

1,4-Piperidinedicarboxamide, N1-[3-[(3,5-dinitrobenzoyl)amino]propyl]- [ACD/Index Name]
N1-{3-[(3,5-Dinitrobenzoyl)amino]propyl}-1,4-piperidindicarboxamid [German] [ACD/IUPAC Name]
N1-{3-[(3,5-Dinitrobenzoyl)amino]propyl}-1,4-piperidinedicarboxamide [ACD/IUPAC Name]
N1-{3-[(3,5-Dinitrobenzoyl)amino]propyl}-1,4-pipéridinedicarboxamide [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: 764.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 416.2±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.23
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.64
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.64
Polar Surface Area: 196 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 297.4±3.0 cm3

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