ChemSpider 2D Image | 3-[(1S)-1-Hydroxy-2-(methylamino)ethyl]phenyl pivalate | C14H21NO3

3-[(1S)-1-Hydroxy-2-(methylamino)ethyl]phenyl pivalate

  • Molecular FormulaC14H21NO3
  • Average mass251.321 Da
  • Monoisotopic mass251.152145 Da
  • ChemSpider ID34993662

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(1S)-1-Hydroxy-2-(methylamino)ethyl]phenyl pivalate [ACD/IUPAC Name]
3-[(1S)-1-Hydroxy-2-(methylamino)ethyl]phenylpivalat [German] [ACD/IUPAC Name]
Pivalate de 3-[(1S)-1-hydroxy-2-(méthylamino)éthyl]phényle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenyl ester [ACD/Index Name]
67577-23-5 [RN]
Pivenfrine [INN]
UNII-RB4XQ0T71U

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

Density: 1.1±0.1 g/cm3
Boiling Point: 380.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 184.2±23.7 °C
Index of Refraction: 1.519
Molar Refractivity: 70.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.41
Polar Surface Area: 59 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 233.0±3.0 cm3

Click to predict properties on the Chemicalize site


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