ChemSpider 2D Image | tert-Butyl 4-(4-nitrobenzylamino)piperidine-1-carboxylate | C17H25N3O4

tert-Butyl 4-(4-nitrobenzylamino)piperidine-1-carboxylate

  • Molecular FormulaC17H25N3O4
  • Average mass335.398 Da
  • Monoisotopic mass335.184509 Da
  • ChemSpider ID23355279

More details:

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

1-Piperidinecarboxylic acid, 4-[[(4-nitrophenyl)methyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(4-nitrobenzyl)amino]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(4-nitrobenzyl)amino]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(4-nitrobenzylamino)piperidine-1-carboxylic acid tert-butyl ester
4-[(4-Nitrobenzyl)amino]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
888944-25-0 [RN]
tert-Butyl 4-(4-nitrobenzylamino)piperidine-1-carboxylate
tert-Butyl 4-[(4-nitrobenzyl)amino]piperidine-1-carboxylate
KS-5903
MFCD12963739
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 470.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.3±3.0 kJ/mol
    Flash Point: 238.5±27.3 °C
    Index of Refraction: 1.561
    Molar Refractivity: 91.1±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.58
    ACD/LogD (pH 5.5): 0.87
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.98
    ACD/LogD (pH 7.4): 2.56
    ACD/BCF (pH 7.4): 38.81
    ACD/KOC (pH 7.4): 340.15
    Polar Surface Area: 87 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 49.6±5.0 dyne/cm
    Molar Volume: 281.2±5.0 cm3

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