ChemSpider 2D Image | 2-{Ethyl[4-(methylsulfanyl)benzyl]amino}ethanol | C12H19NOS

2-{Ethyl[4-(methylsulfanyl)benzyl]amino}ethanol

  • Molecular FormulaC12H19NOS
  • Average mass225.350 Da
  • Monoisotopic mass225.118729 Da
  • ChemSpider ID28301648

More details:






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

2-{Ethyl[4-(methylsulfanyl)benzyl]amino}ethanol [German] [ACD/IUPAC Name]
2-{Ethyl[4-(methylsulfanyl)benzyl]amino}ethanol [ACD/IUPAC Name]
2-{Éthyl[4-(méthylsulfanyl)benzyl]amino}éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[ethyl[[4-(methylthio)phenyl]methyl]amino]- [ACD/Index Name]
1249397-14-5 [RN]
2-(Ethyl(4-(methylthio)benzyl)amino)ethanol
2-[ETHYL({[4-(METHYLSULFANYL)PHENYL]METHYL})AMINO]ETHAN-1-OL
2-[ETHYL({[4-(METHYLSULFANYL)PHENYL]METHYL})AMINO]ETHANOL
2-[ethyl-(4-methylsulfanylbenzyl)amino]ethanol
2-[Ethyl-(4-methylsulfanyl-benzyl)-amino]-ethanol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 345.2±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 162.6±23.7 °C
Index of Refraction: 1.572
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 6.89
ACD/KOC (pH 7.4): 85.31
Polar Surface Area: 49 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 206.4±5.0 cm3

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