ChemSpider 2D Image | 2-{4-[(3-Chloro-1-benzothiophen-2-yl)methyl]-1-methyl-2-piperazinyl}ethanol | C16H21ClN2OS

2-{4-[(3-Chloro-1-benzothiophen-2-yl)methyl]-1-methyl-2-piperazinyl}ethanol

  • Molecular FormulaC16H21ClN2OS
  • Average mass324.869 Da
  • Monoisotopic mass324.106323 Da
  • ChemSpider ID23066653

More details:

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

2-{4-[(3-Chlor-1-benzothiophen-2-yl)methyl]-1-methyl-2-piperazinyl}ethanol [German] [ACD/IUPAC Name]
2-{4-[(3-Chloro-1-benzothiophen-2-yl)methyl]-1-methyl-2-piperazinyl}ethanol [ACD/IUPAC Name]
2-{4-[(3-Chloro-1-benzothiophén-2-yl)méthyl]-1-méthyl-2-pipérazinyl}éthanol [French] [ACD/IUPAC Name]
2-Piperazineethanol, 4-[(3-chlorobenzo[b]thien-2-yl)methyl]-1-methyl- [ACD/Index Name]
2-{4-[(3-chloro-1-benzothien-2-yl)methyl]-1-methyl-2-piperazinyl}ethanol
2-{4-[(3-CHLORO-1-BENZOTHIOPHEN-2-YL)METHYL]-1-METHYLPIPERAZIN-2-YL}ETHAN-1-OL
2-{4-[(3-CHLORO-1-BENZOTHIOPHEN-2-YL)METHYL]-1-METHYLPIPERAZIN-2-YL}ETHANOL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 463.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 233.8±27.3 °C
Index of Refraction: 1.628
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.73
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 34.04
ACD/KOC (pH 7.4): 336.84
Polar Surface Area: 55 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 257.5±3.0 cm3

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