Found 1 result

Search term: NXGVFWQABHTKLF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{Isopropyl[4-(methylsulfanyl)benzyl]amino}ethanol | C13H21NOS

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

  • Molecular FormulaC13H21NOS
  • Average mass239.377 Da
  • Monoisotopic mass239.134384 Da
  • ChemSpider ID28301658

More details:

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

1251099-47-4 [RN]
2-{Isopropyl[4-(methylsulfanyl)benzyl]amino}ethanol [German] [ACD/IUPAC Name]
2-{Isopropyl[4-(methylsulfanyl)benzyl]amino}ethanol [ACD/IUPAC Name]
2-{Isopropyl[4-(méthylsulfanyl)benzyl]amino}éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[(1-methylethyl)[[4-(methylthio)phenyl]methyl]amino]- [ACD/Index Name]
2-({[4-(METHYLSULFANYL)PHENYL]METHYL}(PROPAN-2-YL)AMINO)ETHAN-1-OL
2-(Isopropyl(4-(methylthio)benzyl)amino)ethanol
2-[ISOPROPYL({[4-(METHYLSULFANYL)PHENYL]METHYL})AMINO]ETHANOL
2-[Isopropyl-(4-methylsulfanylbenzyl)amino]ethanol
2-[Isopropyl-(4-methylsulfanyl-benzyl)-amino]-ethanol
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 354.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 167.9±23.7 °C
Index of Refraction: 1.563
Molar Refractivity: 72.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.46
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 12.30
ACD/KOC (pH 7.4): 123.60
Polar Surface Area: 49 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 223.4±5.0 cm3

Click to predict properties on the Chemicalize site


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