ChemSpider 2D Image | 1-(1,3-Benzoxathiol-5-yl)-2-propanamine | C10H13NOS

1-(1,3-Benzoxathiol-5-yl)-2-propanamine

  • Molecular FormulaC10H13NOS
  • Average mass195.281 Da
  • Monoisotopic mass195.071777 Da
  • ChemSpider ID61970175

More details:

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

1-(1,3-Benzoxathiol-5-yl)-2-propanamin [German] [ACD/IUPAC Name]
1-(1,3-Benzoxathiol-5-yl)-2-propanamine [ACD/IUPAC Name]
1-(1,3-Benzoxathiol-5-yl)-2-propanamine [French] [ACD/IUPAC Name]
1,3-Benzoxathiole-5-ethanamine, α-methyl- [ACD/Index Name]
1891286-82-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 321.2±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.3±3.0 kJ/mol
Flash Point: 148.0±27.6 °C
Index of Refraction: 1.614
Molar Refractivity: 56.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.04
Polar Surface Area: 61 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 162.4±3.0 cm3

Click to predict properties on the Chemicalize site


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