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Search term: NREWQDPOGVEGDD (Found by InChIKey (skeleton match))

ChemSpider 2D Image | tert-Butyl 9-(hydroxymethyl)-3-azaspiro[5.5]undecane-3-carboxylate | C16H29NO3

tert-Butyl 9-(hydroxymethyl)-3-azaspiro[5.5]undecane-3-carboxylate

  • Molecular FormulaC16H29NO3
  • Average mass283.406 Da
  • Monoisotopic mass283.214752 Da
  • ChemSpider ID34065965

More details:






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

1341036-19-8 [RN]
2-Methyl-2-propanyl 9-(hydroxymethyl)-3-azaspiro[5.5]undecane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-9-(hydroxymethyl)-3-azaspiro[5.5]undecan-3-carboxylat [German] [ACD/IUPAC Name]
3-Azaspiro[5.5]undecane-3-carboxylic acid, 9-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
9-(Hydroxyméthyl)-3-azaspiro[5.5]undécane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 9-(hydroxymethyl)-3-azaspiro[5.5]undecane-3-carboxylate
atoms 20 bonds 21
MFCD27956911
t-Butyl 9-(hydroxymethyl)-3-azaspiro[5.5]undecane-3-carboxylate
tert-Butyl 9-(hydroxymethyl)-3-azaspiro-[5.5]undecane-3-carboxylate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 396.6±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.8±6.0 kJ/mol
    Flash Point: 193.7±20.4 °C
    Index of Refraction: 1.514
    Molar Refractivity: 79.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.62
    ACD/LogD (pH 5.5): 3.43
    ACD/BCF (pH 5.5): 236.33
    ACD/KOC (pH 5.5): 1740.10
    ACD/LogD (pH 7.4): 3.43
    ACD/BCF (pH 7.4): 236.33
    ACD/KOC (pH 7.4): 1740.10
    Polar Surface Area: 50 Å2
    Polarizability: 31.4±0.5 10-24cm3
    Surface Tension: 42.2±5.0 dyne/cm
    Molar Volume: 263.3±5.0 cm3

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