ChemSpider 2D Image | 4-{[1-(3-Methyl-2-thienyl)ethyl]amino}-2-butanol | C11H19NOS

4-{[1-(3-Methyl-2-thienyl)ethyl]amino}-2-butanol

  • Molecular FormulaC11H19NOS
  • Average mass213.340 Da
  • Monoisotopic mass213.118729 Da
  • ChemSpider ID34213555

More details:

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

2-Butanol, 4-[[1-(3-methyl-2-thienyl)ethyl]amino]- [ACD/Index Name]
4-{[1-(3-Methyl-2-thienyl)ethyl]amino}-2-butanol [German] [ACD/IUPAC Name]
4-{[1-(3-Methyl-2-thienyl)ethyl]amino}-2-butanol [ACD/IUPAC Name]
4-{[1-(3-Méthyl-2-thiényl)éthyl]amino}-2-butanol [French] [ACD/IUPAC Name]
1343876-42-5 [RN]
4-{[1-(3-methylthiophen-2-yl)ethyl]amino}butan-2-ol
MFCD20439067

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

Density: 1.1±0.1 g/cm3
Boiling Point: 330.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 153.7±26.5 °C
Index of Refraction: 1.534
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.67
Polar Surface Area: 61 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 201.5±3.0 cm3

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