ChemSpider 2D Image | 4-Amino-3-nitrophenyl tert-butyl carbonate | C11H14N2O5

4-Amino-3-nitrophenyl tert-butyl carbonate

  • Molecular FormulaC11H14N2O5
  • Average mass254.239 Da
  • Monoisotopic mass254.090271 Da
  • ChemSpider ID29339908

More details:

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

201811-18-9 [RN]
4-Amino-3-nitrophenyl 2-methyl-2-propanyl carbonate [ACD/IUPAC Name]
4-Amino-3-nitrophenyl tert-butyl carbonate
4-Amino-3-nitrophenyl-2-methyl-2-propanylcarbonat [German] [ACD/IUPAC Name]
Carbonate de 4-amino-3-nitrophényle et de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Carbonic acid, 4-amino-3-nitrophenyl 1,1-dimethylethyl ester [ACD/Index Name]
(4-amino-3-nitrophenyl) tert-butyl carbonate
carbonic acid 4-amino-3-nitro-phenyl ester tert-butyl ester
MFCD23115370 [MDL number]

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: 1.3±0.1 g/cm3
    Boiling Point: 392.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±3.0 kJ/mol
    Flash Point: 190.9±27.9 °C
    Index of Refraction: 1.563
    Molar Refractivity: 64.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.44
    ACD/LogD (pH 5.5): 2.41
    ACD/BCF (pH 5.5): 40.08
    ACD/KOC (pH 5.5): 488.67
    ACD/LogD (pH 7.4): 2.41
    ACD/BCF (pH 7.4): 40.08
    ACD/KOC (pH 7.4): 488.67
    Polar Surface Area: 107 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 50.0±3.0 dyne/cm
    Molar Volume: 197.1±3.0 cm3

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