ChemSpider 2D Image | tert-Butyl-9-benzyl-3,9-diazaspiro[5.5]undecan-3-carboxylat | C21H32N2O2

tert-Butyl-9-benzyl-3,9-diazaspiro[5.5]undecan-3-carboxylat

  • Molecular FormulaC21H32N2O2
  • Average mass344.491 Da
  • Monoisotopic mass344.246368 Da
  • ChemSpider ID23077038

More details:

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

2-Methyl-2-propanyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-9-benzyl-3,9-diazaspiro[5.5]undecan-3-carboxylat [German] [ACD/IUPAC Name]
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-(phenylmethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
929302-01-2 [RN]
9-Benzyl-3,9-diazaspiro[5.5]undécane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
tert-Butyl-9-benzyl-3,9-diazaspiro[5.5]undecan-3-carboxylat
[929302-01-2] [RN]
9-(PHENYLMETHYL)-3,9-DIAZASPIRO[5.5]UNDECANE-3-CARBOXYLIC ACID-1,1-DIMETHYLETHYL ESTER
9-Benzyl-3,9-diaza-spiro[5.5]undecane-3-carboxylic acid t-butyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 443.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.1±3.0 kJ/mol
    Flash Point: 222.1±28.7 °C
    Index of Refraction: 1.560
    Molar Refractivity: 101.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.51
    ACD/LogD (pH 5.5): 1.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.51
    ACD/LogD (pH 7.4): 2.45
    ACD/BCF (pH 7.4): 16.90
    ACD/KOC (pH 7.4): 86.56
    Polar Surface Area: 33 Å2
    Polarizability: 40.3±0.5 10-24cm3
    Surface Tension: 45.3±5.0 dyne/cm
    Molar Volume: 314.6±5.0 cm3

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