ChemSpider 2D Image | (S)-tert-Butyl 3-((6-ethoxypyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate | C15H23N3O4

(S)-tert-Butyl 3-((6-ethoxypyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate

  • Molecular FormulaC15H23N3O4
  • Average mass309.361 Da
  • Monoisotopic mass309.168854 Da
  • ChemSpider ID28303495

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-[(6-Éthoxy-4-pyrimidinyl)oxy]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-tert-Butyl 3-((6-ethoxypyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate
1354009-71-4 [RN]
1-Pyrrolidinecarboxylic acid, 3-[(6-ethoxy-4-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-[(6-ethoxy-4-pyrimidinyl)oxy]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-[(6-ethoxy-4-pyrimidinyl)oxy]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(S)-3-(6-Ethoxypyrimidin-4-yloxy)pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-(6-Ethoxypyrimidin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-(6-Ethoxy-pyrimidin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
(s)-tert-butyl3-((6-ethoxypyrimidin-4-yl)oxy)pyrrolidine-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: 434.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.4±28.7 °C
Index of Refraction: 1.524
Molar Refractivity: 80.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.43
ACD/KOC (pH 5.5): 352.82
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.44
ACD/KOC (pH 7.4): 352.90
Polar Surface Area: 74 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 263.4±3.0 cm3

Click to predict properties on the Chemicalize site


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