ChemSpider 2D Image | tert-butyl (s)-(1-(3-chlorophenyl)-2-hydroxyethyl)carbamate | C13H18ClNO3

tert-butyl (s)-(1-(3-chlorophenyl)-2-hydroxyethyl)carbamate

  • Molecular FormulaC13H18ClNO3
  • Average mass271.740 Da
  • Monoisotopic mass271.097534 Da
  • ChemSpider ID29338766

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1S)-1-(3-Chlorophényl)-2-hydroxyéthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1379546-46-9 [RN]
2-Methyl-2-propanyl [(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1S)-1-(3-chlorphenyl)-2-hydroxyethyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl (s)-(1-(3-chlorophenyl)-2-hydroxyethyl)carbamate
(S)-tert-Butyl (1-(3-chlorophenyl)-2-hydroxyethyl)carbamate
(S)-tert-butyl 1-(3-chlorophenyl)-2-hydroxyethylcarbamate
926643-26-7 [RN]
carbamic acid,[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-,1,1-dimethylethyl ester
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 405.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.3±3.0 kJ/mol
    Flash Point: 199.3±27.3 °C
    Index of Refraction: 1.535
    Molar Refractivity: 70.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.83
    ACD/LogD (pH 5.5): 2.79
    ACD/BCF (pH 5.5): 77.15
    ACD/KOC (pH 5.5): 780.85
    ACD/LogD (pH 7.4): 2.79
    ACD/BCF (pH 7.4): 77.14
    ACD/KOC (pH 7.4): 780.76
    Polar Surface Area: 59 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 42.9±3.0 dyne/cm
    Molar Volume: 227.3±3.0 cm3

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