ChemSpider 2D Image | 4-({4-[(2S)-2-(4-Chlorophenyl)-2-hydroxyethyl]-1-piperazinyl}methyl)-2,6-bis(2-methyl-2-propanyl)phenol | C27H39ClN2O2

4-({4-[(2S)-2-(4-Chlorophenyl)-2-hydroxyethyl]-1-piperazinyl}methyl)-2,6-bis(2-methyl-2-propanyl)phenol

  • Molecular FormulaC27H39ClN2O2
  • Average mass459.064 Da
  • Monoisotopic mass458.270020 Da
  • ChemSpider ID34983650

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazineethanol, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-α-(4-chlorophenyl)-, (αS)- [ACD/Index Name]
4-({4-[(2S)-2-(4-Chlorophenyl)-2-hydroxyethyl]-1-piperazinyl}methyl)-2,6-bis(2-methyl-2-propanyl)phenol [ACD/IUPAC Name]
4-({4-[(2S)-2-(4-Chlorophényl)-2-hydroxyéthyl]-1-pipérazinyl}méthyl)-2,6-bis(2-méthyl-2-propanyl)phénol [French] [ACD/IUPAC Name]
4-({4-[(2S)-2-(4-Chlorphenyl)-2-hydroxyethyl]-1-piperazinyl}methyl)-2,6-bis(2-methyl-2-propanyl)phenol [German] [ACD/IUPAC Name]
199467-52-2 [RN]
AM-36
UNII-08OBY024NY

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

Density: 1.1±0.1 g/cm3
Boiling Point: 542.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 281.9±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 390.22
ACD/KOC (pH 5.5): 1027.06
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 6911.28
ACD/KOC (pH 7.4): 18190.61
Polar Surface Area: 47 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 407.2±3.0 cm3

Click to predict properties on the Chemicalize site


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