ChemSpider 2D Image | tert-butyl N-[(1S,3S)-3-hydroxycyclohexyl]carbamate | C11H21NO3

tert-butyl N-[(1S,3S)-3-hydroxycyclohexyl]carbamate

  • Molecular FormulaC11H21NO3
  • Average mass215.289 Da
  • Monoisotopic mass215.152145 Da
  • ChemSpider ID32789444

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1S,3S)-3-Hydroxycyclohexyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1425253-99-1 [RN]
2-Methyl-2-propanyl [(1S,3S)-3-hydroxycyclohexyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1S,3S)-3-hydroxycyclohexyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,3S)-3-hydroxycyclohexyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl N-[(1S,3S)-3-hydroxycyclohexyl]carbamate
(1S,3S)-(3-Hydroxy-cyclohexyl)-carbamic acid tert-butyl ester
1422443-57-9 [RN]
95%
MFCD28502564
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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: 337.7±31.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 67.3±6.0 kJ/mol
    Flash Point: 158.0±24.8 °C
    Index of Refraction: 1.485
    Molar Refractivity: 57.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.43
    ACD/LogD (pH 5.5): 1.43
    ACD/BCF (pH 5.5): 7.16
    ACD/KOC (pH 5.5): 142.46
    ACD/LogD (pH 7.4): 1.43
    ACD/BCF (pH 7.4): 7.16
    ACD/KOC (pH 7.4): 142.46
    Polar Surface Area: 59 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 38.8±5.0 dyne/cm
    Molar Volume: 202.0±5.0 cm3

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