ChemSpider 2D Image | (S)-tert-Butyl 3-((6-ethoxypyrimidin-4-yl)amino)pyrrolidine-1-carboxylate | C15H24N4O3

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

  • Molecular FormulaC15H24N4O3
  • Average mass308.376 Da
  • Monoisotopic mass308.184845 Da
  • ChemSpider ID28303504

  • 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)amino]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-tert-Butyl 3-((6-ethoxypyrimidin-4-yl)amino)pyrrolidine-1-carboxylate
1354018-05-5 [RN]
1-Pyrrolidinecarboxylic acid, 3-[(6-ethoxy-4-pyrimidinyl)amino]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-[(6-ethoxy-4-pyrimidinyl)amino]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-[(6-ethoxy-4-pyrimidinyl)amino]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(S)-3-(6-Ethoxypyrimidin-4-ylamino)pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-(6-Ethoxypyrimidin-4-ylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-(6-Ethoxy-pyrimidin-4-ylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester
(s)-tert-butyl3-((6-ethoxypyrimidin-4-yl)amino)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: 461.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 232.7±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 83.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 60.14
ACD/KOC (pH 5.5): 627.55
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 69.17
ACD/KOC (pH 7.4): 721.76
Polar Surface Area: 77 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 258.9±3.0 cm3

Click to predict properties on the Chemicalize site


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