ChemSpider 2D Image | Ethyl [9-(2-fluorobenzyl)-1-(hydroxymethyl)-3,9-diazaspiro[5.5]undec-3-yl]acetate | C21H31FN2O3

Ethyl [9-(2-fluorobenzyl)-1-(hydroxymethyl)-3,9-diazaspiro[5.5]undec-3-yl]acetate

  • Molecular FormulaC21H31FN2O3
  • Average mass378.481 Da
  • Monoisotopic mass378.231873 Da
  • ChemSpider ID30920328

More details:

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

[9-(2-Fluorobenzyl)-1-(hydroxyméthyl)-3,9-diazaspiro[5.5]undéc-3-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
3,9-Diazaspiro[5.5]undecane-3-acetic acid, 9-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-, ethyl ester [ACD/Index Name]
Ethyl [9-(2-fluorobenzyl)-1-(hydroxymethyl)-3,9-diazaspiro[5.5]undec-3-yl]acetate [ACD/IUPAC Name]
Ethyl-[9-(2-fluorbenzyl)-1-(hydroxymethyl)-3,9-diazaspiro[5.5]undec-3-yl]acetat [German] [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: 468.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 237.3±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 3.51
ACD/KOC (pH 7.4): 35.44
Polar Surface Area: 53 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 316.7±5.0 cm3

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