ChemSpider 2D Image | Benzyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate | C13H16N2O2

Benzyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

  • Molecular FormulaC13H16N2O2
  • Average mass232.278 Da
  • Monoisotopic mass232.121185 Da
  • ChemSpider ID24958075

More details:

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

3,6-Diazabicyclo[3.2.0]heptane-3-carboxylate de benzyle [French] [ACD/IUPAC Name]
3,6-Diazabicyclo[3.2.0]heptane-3-carboxylic acid, phenylmethyl ester [ACD/Index Name]
370880-87-8 [RN]
Benzyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate [ACD/IUPAC Name]
Benzyl-3,6-diazabicyclo[3.2.0]heptan-3-carboxylat [German] [ACD/IUPAC Name]
3,6-Diaza-bicyclo[3.2.0]heptane-3-carboxylic acid benzyl ester
3,6-DIAZABICYCLO[3.2.0]HEPTANE-3-CARBOXYLICACID, PHENYLMETHYL ESTER, (1S,5S)-
370881-43-9 [RN]
370881-68-8 [RN]
3-Cbz-3,6-Diazabicyclo[3.2.0]heptane
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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: 370.7±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.8±3.0 kJ/mol
    Flash Point: 178.0±23.2 °C
    Index of Refraction: 1.580
    Molar Refractivity: 63.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.14
    ACD/LogD (pH 5.5): -1.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.87
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 42 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 47.8±3.0 dyne/cm
    Molar Volume: 190.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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