ChemSpider 2D Image | 9-(3-Fluoro-4-methoxybenzyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one | C21H31FN2O3

9-(3-Fluoro-4-methoxybenzyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

  • Molecular FormulaC21H31FN2O3
  • Average mass378.481 Da
  • Monoisotopic mass378.231873 Da
  • ChemSpider ID29646311

More details:

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

2,9-Diazaspiro[5.5]undecan-3-one, 9-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-methoxypropyl)- [ACD/Index Name]
9-(3-Fluor-4-methoxybenzyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-on [German] [ACD/IUPAC Name]
9-(3-Fluoro-4-methoxybenzyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one [ACD/IUPAC Name]
9-(3-Fluoro-4-méthoxybenzyl)-2-(3-méthoxypropyl)-2,9-diazaspiro[5.5]undécan-3-one [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: 518.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.2±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.33
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 4.99
ACD/KOC (pH 7.4): 48.43
Polar Surface Area: 42 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 324.3±5.0 cm3

Click to predict properties on the Chemicalize site


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