ChemSpider 2D Image | 1-[4-(Benzylsulfanyl)phenyl]-2-propanamine | C16H19NS

1-[4-(Benzylsulfanyl)phenyl]-2-propanamine

  • Molecular FormulaC16H19NS
  • Average mass257.394 Da
  • Monoisotopic mass257.123810 Da
  • ChemSpider ID24658134

More details:

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

1-[4-(Benzylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-[4-(Benzylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
1-[4-(Benzylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-methyl-4-[(phenylmethyl)thio]- [ACD/Index 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: 399.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.1±25.9 °C
Index of Refraction: 1.615
Molar Refractivity: 81.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.11
ACD/KOC (pH 7.4): 7.88
Polar Surface Area: 51 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 233.9±5.0 cm3

Click to predict properties on the Chemicalize site


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