ChemSpider 2D Image | 1,1',1''-(1,3,5-Triazine-2,4,6-triyl)tri(4-piperidinecarboxylic acid) | C21H30N6O6

1,1',1''-(1,3,5-Triazine-2,4,6-triyl)tri(4-piperidinecarboxylic acid)

  • Molecular FormulaC21H30N6O6
  • Average mass462.500 Da
  • Monoisotopic mass462.222687 Da
  • ChemSpider ID115290217

More details:

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

1,1',1''-(1,3,5-Triazin-2,4,6-triyl)tri(4-piperidincarbonsäure) [German] [ACD/IUPAC Name]
1,1',1''-(1,3,5-Triazine-2,4,6-triyl)tri(4-piperidinecarboxylic acid) [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1,1',1''-(1,3,5-triazine-2,4,6-triyl)tris- [ACD/Index Name]
Acide 1,1',1''-(1,3,5-triazine-2,4,6-triyl)tri(4-pipéridinecarboxylique) [French] [ACD/IUPAC Name]
1-[4,6-bis(4-carboxypiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid
1185157-88-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 791.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 432.2±35.7 °C
Index of Refraction: 1.620
Molar Refractivity: 113.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 78.0±3.0 dyne/cm
Molar Volume: 322.7±3.0 cm3

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