ChemSpider 2D Image | 4-{(1S)-1-Hydroxy-2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}-1,2-benzenediol | C19H24N2O4

4-{(1S)-1-Hydroxy-2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}-1,2-benzenediol

  • Molecular FormulaC19H24N2O4
  • Average mass344.405 Da
  • Monoisotopic mass344.173615 Da
  • ChemSpider ID34990149

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(1S)-1-hydroxy-2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]- [ACD/Index Name]
4-{(1S)-1-Hydroxy-2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}-1,2-benzenediol [ACD/IUPAC Name]
4-{(1S)-1-Hydroxy-2-[4-(2-méthoxyphényl)-1-pipérazinyl]éthyl}-1,2-benzènediol [French] [ACD/IUPAC Name]
4-{(1S)-1-Hydroxy-2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}-1,2-benzoldiol [German] [ACD/IUPAC Name]
15534-05-1 [RN]
239-578-6 [EINECS]
pipratecol
UNII-E33L6C08A5

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

Density: 1.3±0.1 g/cm3
Boiling Point: 576.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 302.6±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.23
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.26
ACD/KOC (pH 7.4): 85.90
Polar Surface Area: 76 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 270.2±3.0 cm3

Click to predict properties on the Chemicalize site


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