ChemSpider 2D Image | 3,6-bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine | C31H41N5O2

3,6-bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine

  • Molecular FormulaC31H41N5O2
  • Average mass515.690 Da
  • Monoisotopic mass515.326050 Da
  • ChemSpider ID25058746
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1-Piperidinepropanamide, N,N'-3,6-acridinediylbis[2-methyl-, (2R)- [ACD/Index Name]
3,6-bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine
N,N'-3,6-Acridindiylbis{3-[(2R)-2-methyl-1-piperidinyl]propanamid} [German] [ACD/IUPAC Name]
N,N'-3,6-Acridinediylbis{3-[(2R)-2-methyl-1-piperidinyl]propanamide} [ACD/IUPAC Name]
N,N'-3,6-Acridinediylbis{3-[(2R)-2-méthyl-1-pipéridinyl]propanamide} [French] [ACD/IUPAC Name]
NCJ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 784.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 428.2±30.1 °C
Index of Refraction: 1.635
Molar Refractivity: 156.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 3.18
ACD/KOC (pH 7.4): 9.55
Polar Surface Area: 78 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 437.1±3.0 cm3

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