ChemSpider 2D Image | N-{5-Fluoro-2-[(methylsulfonyl)methyl]benzyl}-2-propanamine | C12H18FNO2S

N-{5-Fluoro-2-[(methylsulfonyl)methyl]benzyl}-2-propanamine

  • Molecular FormulaC12H18FNO2S
  • Average mass259.340 Da
  • Monoisotopic mass259.104218 Da
  • ChemSpider ID35276854

More details:

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

Benzenemethanamine, 5-fluoro-N-(1-methylethyl)-2-[(methylsulfonyl)methyl]- [ACD/Index Name]
N-{5-Fluor-2-[(methylsulfonyl)methyl]benzyl}-2-propanamin [German] [ACD/IUPAC Name]
N-{5-Fluoro-2-[(methylsulfonyl)methyl]benzyl}-2-propanamine [ACD/IUPAC Name]
N-{5-Fluoro-2-[(méthylsulfonyl)méthyl]benzyl}-2-propanamine [French] [ACD/IUPAC Name]
{[5-FLUORO-2-(METHANESULFONYLMETHYL)PHENYL]METHYL}(ISOPROPYL)AMINE
{[5-FLUORO-2-(METHANESULFONYLMETHYL)PHENYL]METHYL}(PROPAN-2-YL)AMINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 401.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 196.6±27.3 °C
Index of Refraction: 1.515
Molar Refractivity: 67.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.28
Polar Surface Area: 55 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 222.5±3.0 cm3

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