ChemSpider 2D Image | 3-(Methylsulfinyl)-1-butanamine | C5H13NOS

3-(Methylsulfinyl)-1-butanamine

  • Molecular FormulaC5H13NOS
  • Average mass135.228 Da
  • Monoisotopic mass135.071777 Da
  • ChemSpider ID28543356

More details:

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

1394042-27-3 [RN]
1-Butanamine, 3-(methylsulfinyl)- [ACD/Index Name]
3-(Methylsulfinyl)-1-butanamin [German] [ACD/IUPAC Name]
3-(Methylsulfinyl)-1-butanamine [ACD/IUPAC Name]
3-(Méthylsulfinyl)-1-butanamine [French] [ACD/IUPAC Name]
3-methanesulfinylbutan-1-amine
MFCD22378791

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

Density: 1.1±0.1 g/cm3
Boiling Point: 287.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.6±3.0 kJ/mol
Flash Point: 127.4±22.6 °C
Index of Refraction: 1.515
Molar Refractivity: 37.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -3.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 124.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement