ChemSpider 2D Image | 2-Methyl-2-propanyl [4-(methylsulfonyl)benzyl]carbamate | C13H19NO4S

2-Methyl-2-propanyl [4-(methylsulfonyl)benzyl]carbamate

  • Molecular FormulaC13H19NO4S
  • Average mass285.359 Da
  • Monoisotopic mass285.103485 Da
  • ChemSpider ID29354007

More details:

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

[4-(Méthylsulfonyl)benzyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [4-(methylsulfonyl)benzyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[4-(methylsulfonyl)benzyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[4-(methylsulfonyl)phenyl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
[694480-96-1] [RN]
694480-96-1 [RN]
MFCD21106154 [MDL number]
N-Boc-4-(methylsulfonyl)benzylamine
N-Boc-4-(methylsulfonyl)benzylamine?
tert-Butyl (4-(methylsulfonyl)benzyl)carbamate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 467.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 72.9±3.0 kJ/mol
    Flash Point: 236.4±28.7 °C
    Index of Refraction: 1.518
    Molar Refractivity: 73.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.17
    ACD/LogD (pH 5.5): 1.58
    ACD/BCF (pH 5.5): 9.30
    ACD/KOC (pH 5.5): 171.72
    ACD/LogD (pH 7.4): 1.58
    ACD/BCF (pH 7.4): 9.30
    ACD/KOC (pH 7.4): 171.71
    Polar Surface Area: 81 Å2
    Polarizability: 29.1±0.5 10-24cm3
    Surface Tension: 40.6±3.0 dyne/cm
    Molar Volume: 242.4±3.0 cm3

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