ChemSpider 2D Image | tert-Butyl 4-[(5-nitropyridin-2-ylamino)methyl]piperidine-1-carboxylate | C16H24N4O4

tert-Butyl 4-[(5-nitropyridin-2-ylamino)methyl]piperidine-1-carboxylate

  • Molecular FormulaC16H24N4O4
  • Average mass336.386 Da
  • Monoisotopic mass336.179749 Da
  • ChemSpider ID26498068

More details:

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

1,1-Dimethylethyl 4-[[(5-nitro-2-pyridinyl)amino]methyl]-1-piperidinecarboxylate
1233952-06-1 [RN]
1-Piperidinecarboxylic acid, 4-[[(5-nitro-2-pyridinyl)amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[(5-nitro-2-pyridinyl)amino]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[(5-nitro-2-pyridinyl)amino]methyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[(5-Nitro-2-pyridinyl)amino]méthyl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-[(5-nitropyridin-2-ylamino)methyl]piperidine-1-carboxylate
KS-5514
MFCD17014059
tert-Butyl 4-(((5-nitropyridin-2-yl)amino)methyl)piperidine-1-carboxylate
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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: 485.8±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±3.0 kJ/mol
    Flash Point: 247.6±24.6 °C
    Index of Refraction: 1.569
    Molar Refractivity: 90.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.10
    ACD/LogD (pH 5.5): 3.24
    ACD/BCF (pH 5.5): 170.48
    ACD/KOC (pH 5.5): 1375.64
    ACD/LogD (pH 7.4): 3.24
    ACD/BCF (pH 7.4): 171.23
    ACD/KOC (pH 7.4): 1381.62
    Polar Surface Area: 100 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 53.2±3.0 dyne/cm
    Molar Volume: 274.7±3.0 cm3

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