ChemSpider 2D Image | Tert-Butyl 9-benzyl-5-oxo-2,9-diazaspiro[5.5]undecane-2-carboxylate | C21H30N2O3

Tert-Butyl 9-benzyl-5-oxo-2,9-diazaspiro[5.5]undecane-2-carboxylate

  • Molecular FormulaC21H30N2O3
  • Average mass358.474 Da
  • Monoisotopic mass358.225647 Da
  • ChemSpider ID24765531

More details:

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

1,1-Dimethylethyl 5-oxo-9-(phenylmethyl)-2,9-diazaspiro[5.5]undecane-2-carboxylate
1159982-58-7 [RN]
2,9-Diazaspiro[5.5]undecane-2-carboxylic acid, 5-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 9-benzyl-5-oxo-2,9-diazaspiro[5.5]undecane-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-9-benzyl-5-oxo-2,9-diazaspiro[5.5]undecan-2-carboxylat [German] [ACD/IUPAC Name]
9-Benzyl-5-oxo-2,9-diazaspiro[5.5]undécane-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Tert-Butyl 9-benzyl-5-oxo-2,9-diazaspiro[5.5]undecane-2-carboxylate
2,9-Diazaspiro[5.5]undecane-2-carboxylicacid,5-oxo-9-(phenylmethyl)-,1,1-dimethylethylester
AGN-PC-086ENG
MFCD11840381
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 478.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.3±3.0 kJ/mol
    Flash Point: 243.3±28.7 °C
    Index of Refraction: 1.568
    Molar Refractivity: 101.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 0.57
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.80
    ACD/LogD (pH 7.4): 2.21
    ACD/BCF (pH 7.4): 15.27
    ACD/KOC (pH 7.4): 119.72
    Polar Surface Area: 50 Å2
    Polarizability: 40.4±0.5 10-24cm3
    Surface Tension: 48.4±5.0 dyne/cm
    Molar Volume: 311.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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