ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-(2-methyl-4-pyrimidinyl)-1-pyrrolidinecarboxylate | C14H21N3O2

2-Methyl-2-propanyl (2S)-2-(2-methyl-4-pyrimidinyl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC14H21N3O2
  • Average mass263.335 Da
  • Monoisotopic mass263.163391 Da
  • ChemSpider ID98607284

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(2-Méthyl-4-pyrimidinyl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-(2-methyl-4-pyrimidinyl)-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-(2-methyl-4-pyrimidinyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-(2-methyl-4-pyrimidinyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 369.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 177.0±25.9 °C
Index of Refraction: 1.530
Molar Refractivity: 72.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.69
ACD/KOC (pH 5.5): 202.20
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.69
ACD/KOC (pH 7.4): 202.31
Polar Surface Area: 55 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 233.9±3.0 cm3

Click to predict properties on the Chemicalize site


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