ChemSpider 2D Image | N-[2-(Ethylsulfanyl)ethyl]-4-methoxy-1-butanamine | C9H21NOS

N-[2-(Ethylsulfanyl)ethyl]-4-methoxy-1-butanamine

  • Molecular FormulaC9H21NOS
  • Average mass191.334 Da
  • Monoisotopic mass191.134384 Da
  • ChemSpider ID42486778

More details:

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

1594905-21-1 [RN]
1-Butanamine, N-[2-(ethylthio)ethyl]-4-methoxy- [ACD/Index Name]
N-[2-(Ethylsulfanyl)ethyl]-4-methoxy-1-butanamin [German] [ACD/IUPAC Name]
N-[2-(Ethylsulfanyl)ethyl]-4-methoxy-1-butanamine [ACD/IUPAC Name]
N-[2-(Éthylsulfanyl)éthyl]-4-méthoxy-1-butanamine [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 272.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 118.7±23.2 °C
Index of Refraction: 1.466
Molar Refractivity: 57.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.63
Polar Surface Area: 47 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 31.5±3.0 dyne/cm
Molar Volume: 206.2±3.0 cm3

Click to predict properties on the Chemicalize site


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