ChemSpider 2D Image | N-(4-Fluorobenzyl)-2-methyl-2-(methylsulfonyl)-1-propanamine | C12H18FNO2S

N-(4-Fluorobenzyl)-2-methyl-2-(methylsulfonyl)-1-propanamine

  • Molecular FormulaC12H18FNO2S
  • Average mass259.340 Da
  • Monoisotopic mass259.104218 Da
  • ChemSpider ID29819273

More details:

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

Benzenemethanamine, 4-fluoro-N-[2-methyl-2-(methylsulfonyl)propyl]- [ACD/Index Name]
N-(4-Fluorbenzyl)-2-methyl-2-(methylsulfonyl)-1-propanamin [German] [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-2-methyl-2-(methylsulfonyl)-1-propanamine [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-2-méthyl-2-(méthylsulfonyl)-1-propanamine [French] [ACD/IUPAC Name]
[(4-FLUOROPHENYL)METHYL](2-METHANESULFONYL-2-METHYLPROPYL)AMINE
1423720-07-3 [RN]
MFCD22366590

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

Density: 1.2±0.1 g/cm3
Boiling Point: 407.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 200.1±24.6 °C
Index of Refraction: 1.516
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: 1.52
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.17
ACD/KOC (pH 7.4): 80.33
Polar Surface Area: 55 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 222.4±3.0 cm3

Click to predict properties on the Chemicalize site


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