ChemSpider 2D Image | tert-Butyl (trans-4-((3-nitropyridin-2-yl)amino)cyclohexyl)carbamate | C16H24N4O4

tert-Butyl (trans-4-((3-nitropyridin-2-yl)amino)cyclohexyl)carbamate

  • Molecular FormulaC16H24N4O4
  • Average mass336.386 Da
  • Monoisotopic mass336.179749 Da
  • ChemSpider ID27458700
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

{trans-4-[(3-Nitro-2-pyridinyl)amino]cyclohexyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1289386-01-1 [RN]
2-Methyl-2-propanyl {trans-4-[(3-nitro-2-pyridinyl)amino]cyclohexyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{trans-4-[(3-nitro-2-pyridinyl)amino]cyclohexyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[trans-4-[(3-nitro-2-pyridinyl)amino]cyclohexyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl (trans-4-((3-nitropyridin-2-yl)amino)cyclohexyl)carbamate
(1r,4r)-[4-(3-Nitro-pyridin-2-ylamino)-cyclohexyl]-carbamic acid tert-butyl ester
(1R,4R)-[4-(3-Nitropyridin-2-ylamino)cyclohexyl]carbamic acid tert-butyl ester
(tert-butoxy)-N-{4-[(3-nitro(2-pyridyl))amino]cyclohexyl}carboxamide
MFCD18837641
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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: 503.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±3.0 kJ/mol
    Flash Point: 258.5±30.1 °C
    Index of Refraction: 1.555
    Molar Refractivity: 88.6±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.83
    ACD/LogD (pH 5.5): 3.95
    ACD/BCF (pH 5.5): 594.45
    ACD/KOC (pH 5.5): 3366.25
    ACD/LogD (pH 7.4): 3.95
    ACD/BCF (pH 7.4): 595.23
    ACD/KOC (pH 7.4): 3370.68
    Polar Surface Area: 109 Å2
    Polarizability: 35.1±0.5 10-24cm3
    Surface Tension: 52.2±5.0 dyne/cm
    Molar Volume: 275.9±5.0 cm3

    Click to predict properties on the Chemicalize site






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