ChemSpider 2D Image | N-Methoxy-N-methyl-1-[4-(methylsulfanyl)phenyl]-2-butanamine | C13H21NOS

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

  • Molecular FormulaC13H21NOS
  • Average mass239.377 Da
  • Monoisotopic mass239.134384 Da
  • ChemSpider ID24653522

More details:

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

Benzeneethanamine, α-ethyl-N-methoxy-N-methyl-4-(methylthio)- [ACD/Index Name]
N-Methoxy-N-methyl-1-[4-(methylsulfanyl)phenyl]-2-butanamin [German] [ACD/IUPAC Name]
N-Methoxy-N-methyl-1-[4-(methylsulfanyl)phenyl]-2-butanamine [ACD/IUPAC Name]
N-Méthoxy-N-méthyl-1-[4-(méthylsulfanyl)phényl]-2-butanamine [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: 330.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 153.6±30.7 °C
Index of Refraction: 1.540
Molar Refractivity: 72.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 322.07
ACD/KOC (pH 5.5): 2164.80
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 325.62
ACD/KOC (pH 7.4): 2188.72
Polar Surface Area: 38 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 38.8±5.0 dyne/cm
Molar Volume: 232.1±5.0 cm3

Click to predict properties on the Chemicalize site


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