ChemSpider 2D Image | 1-{[2-(Dimethylamino)ethyl]sulfanyl}-2-butanol | C8H19NOS

1-{[2-(Dimethylamino)ethyl]sulfanyl}-2-butanol

  • Molecular FormulaC8H19NOS
  • Average mass177.308 Da
  • Monoisotopic mass177.118729 Da
  • ChemSpider ID36895220

More details:

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

1-{[2-(Dimethylamino)ethyl]sulfanyl}-2-butanol [German] [ACD/IUPAC Name]
1-{[2-(Dimethylamino)ethyl]sulfanyl}-2-butanol [ACD/IUPAC Name]
1-{[2-(Diméthylamino)éthyl]sulfanyl}-2-butanol [French] [ACD/IUPAC Name]
2-Butanol, 1-[[2-(dimethylamino)ethyl]thio]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 264.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.4±6.0 kJ/mol
Flash Point: 114.0±21.8 °C
Index of Refraction: 1.494
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.91
Polar Surface Area: 49 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 179.7±3.0 cm3

Click to predict properties on the Chemicalize site


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