ChemSpider 2D Image | 1-{[3-(Methylsulfinyl)propyl]amino}-3-(octyloxy)-2-propanol | C15H33NO3S

1-{[3-(Methylsulfinyl)propyl]amino}-3-(octyloxy)-2-propanol

  • Molecular FormulaC15H33NO3S
  • Average mass307.492 Da
  • Monoisotopic mass307.218109 Da
  • ChemSpider ID42102954

More details:

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

1-{[3-(Methylsulfinyl)propyl]amino}-3-(octyloxy)-2-propanol [German] [ACD/IUPAC Name]
1-{[3-(Methylsulfinyl)propyl]amino}-3-(octyloxy)-2-propanol [ACD/IUPAC Name]
1-{[3-(Méthylsulfinyl)propyl]amino}-3-(octyloxy)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[[3-(methylsulfinyl)propyl]amino]-3-(octyloxy)- [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: 480.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.8±6.0 kJ/mol
Flash Point: 244.2±27.3 °C
Index of Refraction: 1.496
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.28
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 5.20
ACD/KOC (pH 7.4): 58.72
Polar Surface Area: 78 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 298.7±3.0 cm3

Click to predict properties on the Chemicalize site


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