ChemSpider 2D Image | tert-Butyl ((1s,3s)-3-(4-nitro-1H-imidazol-1-yl)cyclobutyl)carbamate | C12H18N4O4

tert-Butyl ((1s,3s)-3-(4-nitro-1H-imidazol-1-yl)cyclobutyl)carbamate

  • Molecular FormulaC12H18N4O4
  • Average mass282.296 Da
  • Monoisotopic mass282.132813 Da
  • ChemSpider ID28537123

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[cis-3-(4-Nitro-1H-imidazol-1-yl)cyclobutyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1364663-31-9 [RN]
2-Methyl-2-propanyl [cis-3-(4-nitro-1H-imidazol-1-yl)cyclobutyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[cis-3-(4-nitro-1H-imidazol-1-yl)cyclobutyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[cis-3-(4-nitro-1H-imidazol-1-yl)cyclobutyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl ((1s,3s)-3-(4-nitro-1H-imidazol-1-yl)cyclobutyl)carbamate
cis-tert-butyl 3-(4-nitro-1H-imidazol-1-yl)cyclobutylcarbamate
MFCD21648233 [MDL number]
tert-butyl (1s,3s)-3-(4-nitro-1H-imidazol-1-yl)cyclobutylcarbamate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 498.0±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.6±3.0 kJ/mol
    Flash Point: 255.0±26.8 °C
    Index of Refraction: 1.621
    Molar Refractivity: 70.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.29
    ACD/LogD (pH 5.5): 1.33
    ACD/BCF (pH 5.5): 5.99
    ACD/KOC (pH 5.5): 125.29
    ACD/LogD (pH 7.4): 1.33
    ACD/BCF (pH 7.4): 5.99
    ACD/KOC (pH 7.4): 125.28
    Polar Surface Area: 102 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 53.9±7.0 dyne/cm
    Molar Volume: 200.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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