ChemSpider 2D Image | 2-{[3-Amino-4-(ethylsulfonyl)phenyl](ethyl)amino}ethanol | C12H20N2O3S

2-{[3-Amino-4-(ethylsulfonyl)phenyl](ethyl)amino}ethanol

  • Molecular FormulaC12H20N2O3S
  • Average mass272.364 Da
  • Monoisotopic mass272.119476 Da
  • ChemSpider ID26052441

More details:

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

1220033-64-6 [RN]
2-{[3-AMINO-4-(ETHANESULFONYL)PHENYL](ETHYL)AMINO}ETHAN-1-OL
2-{[3-Amino-4-(ethylsulfonyl)phenyl](ethyl)amino}ethanol [ACD/IUPAC Name]
2-{[3-Amino-4-(ethylsulfonyl)phenyl](ethyl)amino}ethanol [German] [ACD/IUPAC Name]
2-{[3-Amino-4-(éthylsulfonyl)phényl](éthyl)amino}éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[[3-amino-4-(ethylsulfonyl)phenyl]ethylamino]- [ACD/Index Name]
2-((3-Amino-4-(ethylsulfonyl)phenyl)(ethyl)amino)ethanol
2-(3-amino-N-ethyl-4-ethylsulfonylanilino)ethanol
2-[3-Amino(ethyl)-4-(ethylsulfonyl)anilino]-1-ethanol
2-{[3-AMINO-4-(ETHANESULFONYL)PHENYL](ETHYL)AMINO}ETHANOL
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 506.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.8±3.0 kJ/mol
    Flash Point: 260.2±30.1 °C
    Index of Refraction: 1.577
    Molar Refractivity: 72.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.56
    ACD/LogD (pH 5.5): 1.25
    ACD/BCF (pH 5.5): 5.24
    ACD/KOC (pH 5.5): 113.84
    ACD/LogD (pH 7.4): 1.25
    ACD/BCF (pH 7.4): 5.24
    ACD/KOC (pH 7.4): 113.89
    Polar Surface Area: 92 Å2
    Polarizability: 28.7±0.5 10-24cm3
    Surface Tension: 54.3±3.0 dyne/cm
    Molar Volume: 218.5±3.0 cm3

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