ChemSpider 2D Image | 1-[2-Methoxy-4-methyl-5-(methylsulfanyl)phenyl]-2-propanamine | C12H19NOS

1-[2-Methoxy-4-methyl-5-(methylsulfanyl)phenyl]-2-propanamine

  • Molecular FormulaC12H19NOS
  • Average mass225.350 Da
  • Monoisotopic mass225.118729 Da
  • ChemSpider ID21106388

More details:

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

1-[2-Methoxy-4-methyl-5-(methylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-[2-Methoxy-4-methyl-5-(methylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
1-[2-Méthoxy-4-méthyl-5-(méthylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
1-[2-methoxy-4-methyl-5-(methylsulfanyl)phenyl]propan-2-amine
Benzeneethanamine, 2-methoxy-α,4-dimethyl-5-(methylthio)- [ACD/Index Name]
2-(2-Methoxy-4-methyl-5-methylsulfanyl-phenyl)-1-methyl-ethylamine
207740-45-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL338149/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 328.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 152.6±27.9 °C
Index of Refraction: 1.553
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.75
Polar Surface Area: 61 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 212.0±5.0 cm3

Click to predict properties on the Chemicalize site


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