ChemSpider 2D Image | N-Benzyl-1-[4-(methylsulfanyl)phenyl]-2-propanamine | C17H21NS

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

  • Molecular FormulaC17H21NS
  • Average mass271.420 Da
  • Monoisotopic mass271.139465 Da
  • ChemSpider ID24690003

More details:

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

Benzeneethanamine, α-methyl-4-(methylthio)-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-1-[4-(methylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
N-Benzyl-1-[4-(methylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
N-Benzyl-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: 1.1±0.1 g/cm3
Boiling Point: 402.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.3±25.4 °C
Index of Refraction: 1.594
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 2.45
ACD/KOC (pH 5.5): 9.11
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 31.34
ACD/KOC (pH 7.4): 116.49
Polar Surface Area: 37 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 254.1±5.0 cm3

Click to predict properties on the Chemicalize site


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