ChemSpider 2D Image | 2-Pyridinylmethyl (2R)-2-(4-isobutylphenyl)propanoate | C19H23NO2

2-Pyridinylmethyl (2R)-2-(4-isobutylphenyl)propanoate

  • Molecular FormulaC19H23NO2
  • Average mass297.391 Da
  • Monoisotopic mass297.172882 Da
  • ChemSpider ID32786970

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(4-Isobutylphényl)propanoate de 2-pyridinylméthyle [French] [ACD/IUPAC Name]
2-Pyridinylmethyl (2R)-2-(4-isobutylphenyl)propanoate [ACD/IUPAC Name]
2-Pyridinylmethyl-(2R)-2-(4-isobutylphenyl)propanoat [German] [ACD/IUPAC Name]
Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, 2-pyridinylmethyl ester, (αR)- [ACD/Index Name]
264-979-8 [EINECS]
64622-45-3 [RN]
ibuprofen piconol
UNII-B0F91K5U4N

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

Density: 1.1±0.1 g/cm3
Boiling Point: 402.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.5±24.6 °C
Index of Refraction: 1.543
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1387.74
ACD/KOC (pH 5.5): 6165.46
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1397.75
ACD/KOC (pH 7.4): 6209.91
Polar Surface Area: 39 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 279.6±3.0 cm3

Click to predict properties on the Chemicalize site


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