ChemSpider 2D Image | 1-{4-[(2-Methyl-2-propanyl)sulfanyl]phenyl}-2-propanamine | C13H21NS

1-{4-[(2-Methyl-2-propanyl)sulfanyl]phenyl}-2-propanamine

  • Molecular FormulaC13H21NS
  • Average mass223.378 Da
  • Monoisotopic mass223.139465 Da
  • ChemSpider ID24658286

More details:

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

1-{4-[(2-Methyl-2-propanyl)sulfanyl]phenyl}-2-propanamin [German] [ACD/IUPAC Name]
1-{4-[(2-Methyl-2-propanyl)sulfanyl]phenyl}-2-propanamine [ACD/IUPAC Name]
1-{4-[(2-Méthyl-2-propanyl)sulfanyl]phényl}-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-[(1,1-dimethylethyl)thio]-α-methyl- [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: 325.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 150.6±23.2 °C
Index of Refraction: 1.546
Molar Refractivity: 70.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.69
Polar Surface Area: 51 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 39.1±5.0 dyne/cm
Molar Volume: 223.5±5.0 cm3

Click to predict properties on the Chemicalize site


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