ChemSpider 2D Image | 1-Ethyl-3-[3-(3-pyridinyl)propyl]-8-(2,4,5-trimethoxybenzyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione | C27H36N4O5

1-Ethyl-3-[3-(3-pyridinyl)propyl]-8-(2,4,5-trimethoxybenzyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

  • Molecular FormulaC27H36N4O5
  • Average mass496.599 Da
  • Monoisotopic mass496.268585 Da
  • ChemSpider ID22164435

More details:

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

1,3,8-Triazaspiro[4.5]decane-2,4-dione, 1-ethyl-3-[3-(3-pyridinyl)propyl]-8-[(2,4,5-trimethoxyphenyl)methyl]- [ACD/Index Name]
1-Ethyl-3-[3-(3-pyridinyl)propyl]-8-(2,4,5-trimethoxybenzyl)-1,3,8-triazaspiro[4.5]decan-2,4-dion [German] [ACD/IUPAC Name]
1-Ethyl-3-[3-(3-pyridinyl)propyl]-8-(2,4,5-trimethoxybenzyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione [ACD/IUPAC Name]
1-Éthyl-3-[3-(3-pyridinyl)propyl]-8-(2,4,5-triméthoxybenzyl)-1,3,8-triazaspiro[4.5]décane-2,4-dione [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.0±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.23
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 18.52
ACD/KOC (pH 7.4): 194.84
Polar Surface Area: 84 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 395.6±5.0 cm3

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