ChemSpider 2D Image | 4-{[2-(Dimethylamino)ethyl]sulfanyl}-1-butanol | C8H19NOS

4-{[2-(Dimethylamino)ethyl]sulfanyl}-1-butanol

  • Molecular FormulaC8H19NOS
  • Average mass177.308 Da
  • Monoisotopic mass177.118729 Da
  • ChemSpider ID36895218

More details:

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

1-Butanol, 4-[[2-(dimethylamino)ethyl]thio]- [ACD/Index Name]
4-{[2-(Dimethylamino)ethyl]sulfanyl}-1-butanol [German] [ACD/IUPAC Name]
4-{[2-(Dimethylamino)ethyl]sulfanyl}-1-butanol [ACD/IUPAC Name]
4-{[2-(Diméthylamino)éthyl]sulfanyl}-1-butanol [French] [ACD/IUPAC 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: 259.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.8±6.0 kJ/mol
Flash Point: 110.8±23.2 °C
Index of Refraction: 1.496
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.02
Polar Surface Area: 49 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 179.3±3.0 cm3

Click to predict properties on the Chemicalize site


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