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

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

  • Molecular FormulaC11H19NOS
  • Average mass213.340 Da
  • Monoisotopic mass213.118729 Da
  • ChemSpider ID31037218

More details:

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

1-Butanol, 2-[[1-(3-methyl-2-thienyl)ethyl]amino]- [ACD/Index Name]
2-{[1-(3-Methyl-2-thienyl)ethyl]amino}-1-butanol [German] [ACD/IUPAC Name]
2-{[1-(3-Methyl-2-thienyl)ethyl]amino}-1-butanol [ACD/IUPAC Name]
2-{[1-(3-Méthyl-2-thiényl)éthyl]amino}-1-butanol [French] [ACD/IUPAC Name]
1340102-17-1 [RN]
2-{[1-(3-methylthiophen-2-yl)ethyl]amino}butan-1-ol
MFCD19625432

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

Density: 1.1±0.1 g/cm3
Boiling Point: 337.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 157.6±25.1 °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: 2.48
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 2.81
ACD/KOC (pH 7.4): 35.97
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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