ChemSpider 2D Image | tert-butyl 3-phenyl-1,4-diazepane-1-carboxylate | C16H24N2O2

tert-butyl 3-phenyl-1,4-diazepane-1-carboxylate

  • Molecular FormulaC16H24N2O2
  • Average mass276.374 Da
  • Monoisotopic mass276.183777 Da
  • ChemSpider ID23500384

More details:

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

1211596-44-9 [RN]
1H-1,4-Diazepine-1-carboxylic acid, hexahydro-3-phenyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-phenyl-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-phenyl-1,4-diazepan-1-carboxylat [German] [ACD/IUPAC Name]
3-Phényl-1,4-diazépane-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-phenyl-1,4-diazepane-1-carboxylate
(4-Ethoxy-3-methylphenyl)boronic acid [ACD/IUPAC Name]
(4-Ethoxy-3-methyl-phenyl)boronic acid
[1211596-44-9] [RN]
1H-1,4-Diazepine-1-carboxylicacid,hexahydro-3-phenyl-,1,1-dimethylethylester
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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: 387.4±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 188.1±26.5 °C
    Index of Refraction: 1.515
    Molar Refractivity: 79.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.51
    ACD/LogD (pH 5.5): 0.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.20
    ACD/LogD (pH 7.4): 1.52
    ACD/BCF (pH 7.4): 4.00
    ACD/KOC (pH 7.4): 38.57
    Polar Surface Area: 42 Å2
    Polarizability: 31.4±0.5 10-24cm3
    Surface Tension: 37.3±3.0 dyne/cm
    Molar Volume: 262.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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