ChemSpider 2D Image | tert-butyl 8-(aminomethyl)-5-thia-2-azaspiro[3.4]octane-2-carboxylate | C12H22N2O2S

tert-butyl 8-(aminomethyl)-5-thia-2-azaspiro[3.4]octane-2-carboxylate

  • Molecular FormulaC12H22N2O2S
  • Average mass258.380 Da
  • Monoisotopic mass258.140198 Da
  • ChemSpider ID28601067

More details:

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

1373029-16-3 [RN]
2-Methyl-2-propanyl 8-(aminomethyl)-5-thia-2-azaspiro[3.4]octane-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-8-(aminomethyl)-5-thia-2-azaspiro[3.4]octan-2-carboxylat [German] [ACD/IUPAC Name]
5-Thia-2-azaspiro[3.4]octane-2-carboxylic acid, 8-(aminomethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
8-(Aminométhyl)-5-thia-2-azaspiro[3.4]octane-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 8-(aminomethyl)-5-thia-2-azaspiro[3.4]octane-2-carboxylate
MFCD22209754
tert-butyl 8-(aminomethyl)-5-thia-2-azaspiro[3.4]octane-2-carboxylate(wx101022)

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 379.0±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.7±3.0 kJ/mol
    Flash Point: 183.0±23.7 °C
    Index of Refraction: 1.563
    Molar Refractivity: 70.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.06
    ACD/LogD (pH 5.5): -1.83
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 81 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 48.5±5.0 dyne/cm
    Molar Volume: 218.3±5.0 cm3

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