ChemSpider 2D Image | 1-[4-(Isopropylsulfanyl)phenyl]ethanamine | C11H17NS

1-[4-(Isopropylsulfanyl)phenyl]ethanamine

  • Molecular FormulaC11H17NS
  • Average mass195.324 Da
  • Monoisotopic mass195.108170 Da
  • ChemSpider ID25958247

More details:






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

1-[4-(Isopropylsulfanyl)phenyl]ethanamin [German] [ACD/IUPAC Name]
1-[4-(Isopropylsulfanyl)phenyl]ethanamine [ACD/IUPAC Name]
1-[4-(Isopropylsulfanyl)phényl]éthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, α-methyl-4-[(1-methylethyl)thio]- [ACD/Index Name]
1-(4-propan-2-ylsulfanylphenyl)ethanamine
1-[4-(propan-2-ylsulfanyl)phenyl]ethan-1-amine
1-[4-(propan-2-ylsulfanyl)phenyl]ethanamine
1183610-56-1 [RN]
1344918-22-4 [RN]
MFCD12762209 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 295.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.5±3.0 kJ/mol
Flash Point: 132.3±22.6 °C
Index of Refraction: 1.557
Molar Refractivity: 61.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 20.84
Polar Surface Area: 51 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 40.0±5.0 dyne/cm
Molar Volume: 190.9±5.0 cm3

Click to predict properties on the Chemicalize site






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