ChemSpider 2D Image | 1,3-Bis(benzylsulfanyl)-N,N-diethyl-2-propanamine | C21H29NS2

1,3-Bis(benzylsulfanyl)-N,N-diethyl-2-propanamine

  • Molecular FormulaC21H29NS2
  • Average mass359.592 Da
  • Monoisotopic mass359.174133 Da
  • ChemSpider ID62898219

More details:






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

1,3-Bis(benzylsulfanyl)-N,N-diethyl-2-propanamin [German] [ACD/IUPAC Name]
1,3-Bis(benzylsulfanyl)-N,N-diethyl-2-propanamine [ACD/IUPAC Name]
1,3-Bis(benzylsulfanyl)-N,N-diéthyl-2-propanamine [French] [ACD/IUPAC Name]
2-Propanamine, N,N-diethyl-1,3-bis[(phenylmethyl)thio]- [ACD/Index Name]
3754-00-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 480.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 244.3±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 11.14
ACD/KOC (pH 5.5): 26.71
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 120.21
ACD/KOC (pH 7.4): 288.11
Polar Surface Area: 54 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 334.1±3.0 cm3

Click to predict properties on the Chemicalize site






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