ChemSpider 2D Image | 1-[6-(Methylsulfanyl)-2-naphthyl]-2-propanamine | C14H17NS

1-[6-(Methylsulfanyl)-2-naphthyl]-2-propanamine

  • Molecular FormulaC14H17NS
  • Average mass231.357 Da
  • Monoisotopic mass231.108170 Da
  • ChemSpider ID24689225

More details:

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

1-[6-(Methylsulfanyl)-2-naphthyl]-2-propanamin [German] [ACD/IUPAC Name]
1-[6-(Methylsulfanyl)-2-naphthyl]-2-propanamine [ACD/IUPAC Name]
1-[6-(Méthylsulfanyl)-2-naphtyl]-2-propanamine [French] [ACD/IUPAC Name]
2-Naphthaleneethanamine, α-methyl-6-(methylthio)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL455558/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 389.8±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 189.5±20.9 °C
Index of Refraction: 1.636
Molar Refractivity: 74.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.43
Polar Surface Area: 51 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 207.7±5.0 cm3

Click to predict properties on the Chemicalize site


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