ChemSpider 2D Image | tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate | C13H18N2O3

tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate

  • Molecular FormulaC13H18N2O3
  • Average mass250.294 Da
  • Monoisotopic mass250.131744 Da
  • ChemSpider ID24021525

More details:

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

(2-OXO-3-PYRIDIN-4-YL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER
[2-Oxo-3-(4-pyridinyl)propyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [2-oxo-3-(4-pyridinyl)propyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[2-oxo-3-(4-pyridinyl)propyl]carbamat [German] [ACD/IUPAC Name]
885269-81-8 [RN]
Carbamic acid, [2-oxo-3-(4-pyridinyl)propyl]-, 1,1-dimethylethyl ester
Carbamic acid, N-[2-oxo-3-(4-pyridinyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate
(2-oxo-3-(pyridin-4-yl)propyl)carbamic acid tert-butyl ester
(2-oxo-3-(pyridin-4-yl)propyl)-carbamic acid tert-butyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 396.5±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.7±3.0 kJ/mol
    Flash Point: 193.6±23.7 °C
    Index of Refraction: 1.511
    Molar Refractivity: 67.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.15
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 3.07
    ACD/KOC (pH 5.5): 69.02
    ACD/LogD (pH 7.4): 1.18
    ACD/BCF (pH 7.4): 4.63
    ACD/KOC (pH 7.4): 103.97
    Polar Surface Area: 68 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 41.8±3.0 dyne/cm
    Molar Volume: 224.0±3.0 cm3

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