ChemSpider 2D Image | 4-Benzyl 2-methyl 1,4-oxazepane-2,4-dicarboxylate | C15H19NO5

4-Benzyl 2-methyl 1,4-oxazepane-2,4-dicarboxylate

  • Molecular FormulaC15H19NO5
  • Average mass293.315 Da
  • Monoisotopic mass293.126312 Da
  • ChemSpider ID24605611

More details:

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

1,4-Oxazépane-2,4-dicarboxylate de 4-benzyle et de 2-méthyle [French] [ACD/IUPAC Name]
1,4-Oxazepine-2,4(5H)-dicarboxylic acid, tetrahydro-, 2-methyl 4-(phenylmethyl) ester [ACD/Index Name]
1226776-84-6 [RN]
2-Methyl 4-(phenylmethyl) tetrahydro-1,4-oxazepine-2,4(5H)-dicarboxylate
4-Benzyl 2-methyl 1,4-oxazepane-2,4-dicarboxylate [ACD/IUPAC Name]
4-Benzyl-2-methyl-1,4-oxazepan-2,4-dicarboxylat [German] [ACD/IUPAC Name]
[1226776-84-6] [RN]
CS-11171
Methyl N-Cbz-homomorpholine-2-carboxylate
MFCD16495878 [MDL number]
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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: 413.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.7±3.0 kJ/mol
    Flash Point: 204.1±28.7 °C
    Index of Refraction: 1.528
    Molar Refractivity: 74.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.52
    ACD/LogD (pH 5.5): 1.86
    ACD/BCF (pH 5.5): 15.27
    ACD/KOC (pH 5.5): 244.97
    ACD/LogD (pH 7.4): 1.86
    ACD/BCF (pH 7.4): 15.27
    ACD/KOC (pH 7.4): 244.97
    Polar Surface Area: 65 Å2
    Polarizability: 29.6±0.5 10-24cm3
    Surface Tension: 45.9±3.0 dyne/cm
    Molar Volume: 242.2±3.0 cm3

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