ChemSpider 2D Image | tert-butyl 9-benzyl-2,9-diazaspiro[5.5]undecane-2-carboxylate | C21H32N2O2

tert-butyl 9-benzyl-2,9-diazaspiro[5.5]undecane-2-carboxylate

  • Molecular FormulaC21H32N2O2
  • Average mass344.491 Da
  • Monoisotopic mass344.246368 Da
  • ChemSpider ID24765532

More details:

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

1,1-Dimethylethyl 9-(phenylmethyl)-2,9-diazaspiro[5.5]undecane-2-carboxylate
1159982-59-8 [RN]
2,9-Diazaspiro[5.5]undecane-2-carboxylic acid, 9-(phenylmethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 9-benzyl-2,9-diazaspiro[5.5]undecane-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-9-benzyl-2,9-diazaspiro[5.5]undecan-2-carboxylat [German] [ACD/IUPAC Name]
9-Benzyl-2,9-diazaspiro[5.5]undécane-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 9-benzyl-2,9-diazaspiro[5.5]undecane-2-carboxylate
MFCD11840382 [MDL number]
TERT-BUTYL-9-BENZYL-2,9-DIAZASPIRO[5.5]UNDECANE-2-CARBOXYLATE

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

CCRIS 4693 [DBID]

    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±38.0 °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±26.8 °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: 3.84
    ACD/LogD (pH 5.5): 1.34
    ACD/BCF (pH 5.5): 1.19
    ACD/KOC (pH 5.5): 5.62
    ACD/LogD (pH 7.4): 2.65
    ACD/BCF (pH 7.4): 24.19
    ACD/KOC (pH 7.4): 114.52
    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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