ChemSpider 2D Image | 3-{[3-(Methylsulfanyl)propyl]amino}-1-butanol | C8H19NOS

3-{[3-(Methylsulfanyl)propyl]amino}-1-butanol

  • Molecular FormulaC8H19NOS
  • Average mass177.308 Da
  • Monoisotopic mass177.118729 Da
  • ChemSpider ID46094230

More details:

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

1-Butanol, 3-[[3-(methylthio)propyl]amino]- [ACD/Index Name]
3-{[3-(Methylsulfanyl)propyl]amino}-1-butanol [German] [ACD/IUPAC Name]
3-{[3-(Methylsulfanyl)propyl]amino}-1-butanol [ACD/IUPAC Name]
3-{[3-(Méthylsulfanyl)propyl]amino}-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: 291.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.5±6.0 kJ/mol
Flash Point: 129.8±23.2 °C
Index of Refraction: 1.488
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 181.3±3.0 cm3

Click to predict properties on the Chemicalize site


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