ChemSpider 2D Image | N-Isopropyl-1-[4-(methylsulfanyl)phenyl]-2-propanamine | C13H21NS

N-Isopropyl-1-[4-(methylsulfanyl)phenyl]-2-propanamine

  • Molecular FormulaC13H21NS
  • Average mass223.378 Da
  • Monoisotopic mass223.139465 Da
  • ChemSpider ID24657046

More details:

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

Benzeneethanamine, α-methyl-N-(1-methylethyl)-4-(methylthio)- [ACD/Index Name]
N-Isopropyl-1-[4-(methylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
N-Isopropyl-1-[4-(methylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
N-Isopropyl-1-[4-(méthylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC 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: 319.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 147.1±23.2 °C
Index of Refraction: 1.534
Molar Refractivity: 70.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.77
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.29
Polar Surface Area: 37 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 36.3±5.0 dyne/cm
Molar Volume: 227.7±5.0 cm3

Click to predict properties on the Chemicalize site


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