ChemSpider 2D Image | N-Methoxy-1-[4-(methylsulfanyl)phenyl]-2-propanamine | C11H17NOS

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

  • Molecular FormulaC11H17NOS
  • Average mass211.324 Da
  • Monoisotopic mass211.103088 Da
  • ChemSpider ID24653510

More details:

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

Benzeneethanamine, N-methoxy-α-methyl-4-(methylthio)- [ACD/Index Name]
N-Methoxy-1-[4-(methylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
N-Methoxy-1-[4-(methylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
N-Méthoxy-1-[4-(méthylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
1204749-12-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 308.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 140.6±30.7 °C
Index of Refraction: 1.544
Molar Refractivity: 63.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 71.30
ACD/KOC (pH 5.5): 709.84
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.62
ACD/KOC (pH 7.4): 812.53
Polar Surface Area: 47 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 39.0±5.0 dyne/cm
Molar Volume: 200.6±5.0 cm3

Click to predict properties on the Chemicalize site


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