ChemSpider 2D Image | tert-Butyl 4-(nitromethylene)piperidine-1-carboxylate | C11H18N2O4

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

  • Molecular FormulaC11H18N2O4
  • Average mass242.272 Da
  • Monoisotopic mass242.126663 Da
  • ChemSpider ID26528252

More details:

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

1245646-76-7 [RN]
1-Piperidinecarboxylic acid, 4-(nitromethylene)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(nitromethylene)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(nitromethylen)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(Nitrométhylène)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-(nitromethylene)piperidine-1-carboxylate
BOC-D-HIS(TOS)-OH
Boc-D-His(Tos)-OH; N-tert-Butyloxycarbonyl-N'-tosyl-D-histidine
Chemistry 13462
MFCD17677408 [MDL number]
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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: 358.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.3±3.0 kJ/mol
    Flash Point: 170.3±25.9 °C
    Index of Refraction: 1.556
    Molar Refractivity: 63.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.40
    ACD/LogD (pH 5.5): 2.10
    ACD/BCF (pH 5.5): 23.19
    ACD/KOC (pH 5.5): 330.29
    ACD/LogD (pH 7.4): 2.10
    ACD/BCF (pH 7.4): 23.19
    ACD/KOC (pH 7.4): 330.29
    Polar Surface Area: 75 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 51.9±3.0 dyne/cm
    Molar Volume: 198.2±3.0 cm3

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