ChemSpider 2D Image | 1-Isobutyl-3-(4-methoxybenzyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione | C28H37N3O3

1-Isobutyl-3-(4-methoxybenzyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

  • Molecular FormulaC28H37N3O3
  • Average mass463.612 Da
  • Monoisotopic mass463.283478 Da
  • ChemSpider ID22164815

More details:

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

1,3,8-Triazaspiro[4.5]decane-2,4-dione, 3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-8-(3-phenylpropyl)- [ACD/Index Name]
1-Isobutyl-3-(4-methoxybenzyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-2,4-dion [German] [ACD/IUPAC Name]
1-Isobutyl-3-(4-methoxybenzyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione [ACD/IUPAC Name]
1-Isobutyl-3-(4-méthoxybenzyl)-8-(3-phénylpropyl)-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: 1.2±0.1 g/cm3
Boiling Point: 593.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.6±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 3.72
ACD/KOC (pH 5.5): 12.91
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 85.03
ACD/KOC (pH 7.4): 294.63
Polar Surface Area: 53 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 392.3±5.0 cm3

Click to predict properties on the Chemicalize site


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