ChemSpider 2D Image | (2R)-2-{[1-(5-Chloro-2-thienyl)ethyl]amino}-1-butanol | C10H16ClNOS

(2R)-2-{[1-(5-Chloro-2-thienyl)ethyl]amino}-1-butanol

  • Molecular FormulaC10H16ClNOS
  • Average mass233.758 Da
  • Monoisotopic mass233.064117 Da
  • ChemSpider ID49901063

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-{[1-(5-Chlor-2-thienyl)ethyl]amino}-1-butanol [German] [ACD/IUPAC Name]
(2R)-2-{[1-(5-Chloro-2-thienyl)ethyl]amino}-1-butanol [ACD/IUPAC Name]
(2R)-2-{[1-(5-Chloro-2-thiényl)éthyl]amino}-1-butanol [French] [ACD/IUPAC Name]
1-Butanol, 2-[[1-(5-chloro-2-thienyl)ethyl]amino]-, (2R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 339.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 158.9±25.1 °C
Index of Refraction: 1.549
Molar Refractivity: 62.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.86
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 12.52
ACD/KOC (pH 7.4): 143.88
Polar Surface Area: 61 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 197.2±3.0 cm3

Click to predict properties on the Chemicalize site


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