ChemSpider 2D Image | tert-Butyl 3-((4-chloropyrimidin-2-yl)oxy)piperidine-1-carboxylate | C14H20ClN3O3

tert-Butyl 3-((4-chloropyrimidin-2-yl)oxy)piperidine-1-carboxylate

  • Molecular FormulaC14H20ClN3O3
  • Average mass313.780 Da
  • Monoisotopic mass313.119324 Da
  • ChemSpider ID27729780

More details:

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

1-Piperidinecarboxylic acid, 3-[(4-chloro-2-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[(4-chloro-2-pyrimidinyl)oxy]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(4-chlor-2-pyrimidinyl)oxy]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-[(4-Chloro-2-pyrimidinyl)oxy]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
939986-47-7 [RN]
tert-Butyl 3-((4-chloropyrimidin-2-yl)oxy)piperidine-1-carboxylate
[939986-47-7] [RN]
3-(4-Chloro-pyrimidin-2-yloxy)-piperidine-1-carboxylic acid tert-butyl ester
MFCD09607599 [MDL number]
tert-butyl 3-(4-chloropyrimidin-2-yl)oxypiperidine-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: 435.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.2±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 78.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.13
ACD/KOC (pH 5.5): 573.55
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.13
ACD/KOC (pH 7.4): 573.55
Polar Surface Area: 65 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 252.6±3.0 cm3

Click to predict properties on the Chemicalize site


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