ChemSpider 2D Image | Methyl {[2-(benzylsulfanyl)ethyl]amino}(phenyl)acetate | C18H21NO2S

Methyl {[2-(benzylsulfanyl)ethyl]amino}(phenyl)acetate

  • Molecular FormulaC18H21NO2S
  • Average mass315.430 Da
  • Monoisotopic mass315.129303 Da
  • ChemSpider ID26285775

More details:

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

{[2-(Benzylsulfanyl)éthyl]amino}(phényl)acétate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[2-[(phenylmethyl)thio]ethyl]amino]-, methyl ester [ACD/Index Name]
Methyl {[2-(benzylsulfanyl)ethyl]amino}(phenyl)acetate [ACD/IUPAC Name]
Methyl-{[2-(benzylsulfanyl)ethyl]amino}(phenyl)acetat [German] [ACD/IUPAC Name]
(R)-methyl 2-(2-(benzylthio)ethylamino)-2-phenylacetate
627064-73-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 446.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.7±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 92.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 497.71
ACD/KOC (pH 5.5): 2486.44
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 915.26
ACD/KOC (pH 7.4): 4572.42
Polar Surface Area: 64 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 276.0±3.0 cm3

Click to predict properties on the Chemicalize site


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