ChemSpider 2D Image | tert-butyl 3,6-diazabicyclo-[3.1.0]hexane-3-carboxylate | C9H16N2O2

tert-butyl 3,6-diazabicyclo-[3.1.0]hexane-3-carboxylate

  • Molecular FormulaC9H16N2O2
  • Average mass184.236 Da
  • Monoisotopic mass184.121185 Da
  • ChemSpider ID26263156

More details:

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

1262407-18-0 [RN]
2-Methyl-2-propanyl 3,6-diazabicyclo[3.1.0]hexane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3,6-diazabicyclo[3.1.0]hexan-3-carboxylat [German] [ACD/IUPAC Name]
3,6-Diazabicyclo[3.1.0]hexane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3,6-Diazabicyclo[3.1.0]hexane-3-carboxylic acid, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 3,6-diazabicyclo-[3.1.0]hexane-3-carboxylate
(1R,5S)-tert-butyl 3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
[1262407-18-0] [RN]
4-Aminothiobenzamide
DS-1984
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 256.7±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.4±3.0 kJ/mol
    Flash Point: 109.0±20.4 °C
    Index of Refraction: 1.508
    Molar Refractivity: 48.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.16
    ACD/LogD (pH 5.5): 0.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 26.37
    ACD/LogD (pH 7.4): 0.42
    ACD/BCF (pH 7.4): 1.22
    ACD/KOC (pH 7.4): 39.98
    Polar Surface Area: 51 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 38.8±3.0 dyne/cm
    Molar Volume: 161.8±3.0 cm3

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