ChemSpider 2D Image | 1-[(2-{[(5-Chloro-8-quinolinyl)methyl]amino}ethyl)sulfanyl]-2-methyl-2-propanol | C16H21ClN2OS

1-[(2-{[(5-Chloro-8-quinolinyl)methyl]amino}ethyl)sulfanyl]-2-methyl-2-propanol

  • Molecular FormulaC16H21ClN2OS
  • Average mass324.869 Da
  • Monoisotopic mass324.106323 Da
  • ChemSpider ID29813024

More details:

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

1-[(2-{[(5-Chlor-8-chinolinyl)methyl]amino}ethyl)sulfanyl]-2-methyl-2-propanol [German] [ACD/IUPAC Name]
1-[(2-{[(5-Chloro-8-quinoléinyl)méthyl]amino}éthyl)sulfanyl]-2-méthyl-2-propanol [French] [ACD/IUPAC Name]
1-[(2-{[(5-Chloro-8-quinolinyl)methyl]amino}ethyl)sulfanyl]-2-methyl-2-propanol [ACD/IUPAC Name]
2-Propanol, 1-[[2-[[(5-chloro-8-quinolinyl)methyl]amino]ethyl]thio]-2-methyl- [ACD/Index Name]
1-[(2-{[(5-CHLOROQUINOLIN-8-YL)METHYL]AMINO}ETHYL)SULFANYL]-2-METHYLPROPAN-2-OL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 501.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 256.9±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 6.16
ACD/KOC (pH 5.5): 46.68
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 148.86
ACD/KOC (pH 7.4): 1127.97
Polar Surface Area: 70 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 264.4±3.0 cm3

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