ChemSpider 2D Image | N-Methyl-1-[4-(methylsulfanyl)phenyl]-2-butanamine | C12H19NS

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

  • Molecular FormulaC12H19NS
  • Average mass209.351 Da
  • Monoisotopic mass209.123825 Da
  • ChemSpider ID24655843

More details:

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

Benzeneethanamine, α-ethyl-N-methyl-4-(methylthio)- [ACD/Index Name]
N-Methyl-1-[4-(methylsulfanyl)phenyl]-2-butanamin [German] [ACD/IUPAC Name]
N-Methyl-1-[4-(methylsulfanyl)phenyl]-2-butanamine [ACD/IUPAC Name]
N-Méthyl-1-[4-(méthylsulfanyl)phényl]-2-butanamine [French] [ACD/IUPAC Name]
1204749-45-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 308.9±25.0 °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±23.2 °C
Index of Refraction: 1.541
Molar Refractivity: 66.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.11
Polar Surface Area: 37 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 37.4±5.0 dyne/cm
Molar Volume: 210.7±5.0 cm3

Click to predict properties on the Chemicalize site


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