ChemSpider 2D Image | Methyl 3-({4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]phenyl}sulfonyl)propanoate | C16H23NO6S

Methyl 3-({4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]phenyl}sulfonyl)propanoate

  • Molecular FormulaC16H23NO6S
  • Average mass357.422 Da
  • Monoisotopic mass357.124603 Da
  • ChemSpider ID31103773

More details:

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

3-({4-[({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]phényl}sulfonyl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-({4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]phenyl}sulfonyl)propanoate [ACD/IUPAC Name]
Methyl-3-({4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]phenyl}sulfonyl)propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[[4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]phenyl]sulfonyl]-, methyl ester [ACD/Index Name]
[1362160-41-5] [RN]
1362160-41-5 [RN]
206986-83-6 [RN]
Methyl 3-((4-(((tert-butoxycarbonyl)amino)methyl)phenyl)sulfonyl)propanoate
methyl 3-(4-((tert-butoxycarbonylamino)methyl)phenylsulfonyl)propanoate
Methyl 3-(4-((tert-butoxycarbonylamino)-methyl)phenylsulfonyl)propanoate
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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: 540.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.8±3.0 kJ/mol
    Flash Point: 280.7±30.1 °C
    Index of Refraction: 1.516
    Molar Refractivity: 89.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.67
    ACD/LogD (pH 5.5): 2.02
    ACD/BCF (pH 5.5): 20.21
    ACD/KOC (pH 5.5): 299.33
    ACD/LogD (pH 7.4): 2.02
    ACD/BCF (pH 7.4): 20.21
    ACD/KOC (pH 7.4): 299.32
    Polar Surface Area: 107 Å2
    Polarizability: 35.4±0.5 10-24cm3
    Surface Tension: 43.3±3.0 dyne/cm
    Molar Volume: 295.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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