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

8-(2,3-Dimethoxybenzyl)-1-(2-methoxyethyl)-3-[3-(3-pyridinyl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

  • Molecular FormulaC27H36N4O5
  • Average mass496.599 Da
  • Monoisotopic mass496.268585 Da
  • ChemSpider ID22127131

More details:

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

1,3,8-Triazaspiro[4.5]decane-2,4-dione, 8-[(2,3-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)-3-[3-(3-pyridinyl)propyl]- [ACD/Index Name]
8-(2,3-Dimethoxybenzyl)-1-(2-methoxyethyl)-3-[3-(3-pyridinyl)propyl]-1,3,8-triazaspiro[4.5]decan-2,4-dion [German] [ACD/IUPAC Name]
8-(2,3-Dimethoxybenzyl)-1-(2-methoxyethyl)-3-[3-(3-pyridinyl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione [ACD/IUPAC Name]
8-(2,3-Diméthoxybenzyl)-1-(2-méthoxyéthyl)-3-[3-(3-pyridinyl)propyl]-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: 616.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.4±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 7.67
ACD/KOC (pH 7.4): 91.97
Polar Surface Area: 84 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 396.0±5.0 cm3

Click to predict properties on the Chemicalize site


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