ChemSpider 2D Image | MFCD22479157 | C18H25NO5

MFCD22479157

  • Molecular FormulaC18H25NO5
  • Average mass335.395 Da
  • Monoisotopic mass335.173279 Da
  • ChemSpider ID29738390

More details:

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

{3-[({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]-3-oxétanyl}acétate de benzyle [French] [ACD/IUPAC Name]
3-Oxetaneacetic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, phenylmethyl ester [ACD/Index Name]
Benzyl {3-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-3-oxetanyl}acetate [ACD/IUPAC Name]
Benzyl 2-(3-(((tert-butoxycarbonyl)amino)methyl)oxetan-3-yl)acetate
Benzyl-{3-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-3-oxetanyl}acetat [German] [ACD/IUPAC Name]
MFCD22479157
1404193-76-5 [RN]
BENZYL 2-(3-{[(TERT-BUTOXYCARBONYL)AMINO]METHYL}OXETAN-3-YL)ACETATE
BENZYL 2-[3-({[(TERT-BUTOXY)CARBONYL]AMINO}METHYL)OXETAN-3-YL]ACETATE
Benzyl2-(3-(((tert-butoxycarbonyl)amino)methyl)oxetan-3-yl)acetate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 455.0±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.5±3.0 kJ/mol
    Flash Point: 229.0±20.4 °C
    Index of Refraction: 1.514
    Molar Refractivity: 88.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 2.76
    ACD/LogD (pH 5.5): 2.84
    ACD/BCF (pH 5.5): 85.38
    ACD/KOC (pH 5.5): 839.57
    ACD/LogD (pH 7.4): 2.84
    ACD/BCF (pH 7.4): 85.37
    ACD/KOC (pH 7.4): 839.56
    Polar Surface Area: 74 Å2
    Polarizability: 35.2±0.5 10-24cm3
    Surface Tension: 44.5±3.0 dyne/cm
    Molar Volume: 294.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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