ChemSpider 2D Image | 3-{[(3-Bromo-2-thienyl)methyl]amino}-1-pentanol | C10H16BrNOS

3-{[(3-Bromo-2-thienyl)methyl]amino}-1-pentanol

  • Molecular FormulaC10H16BrNOS
  • Average mass278.209 Da
  • Monoisotopic mass277.013580 Da
  • ChemSpider ID35177167

More details:

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

1-Pentanol, 3-[[(3-bromo-2-thienyl)methyl]amino]- [ACD/Index Name]
3-{[(3-Brom-2-thienyl)methyl]amino}-1-pentanol [German] [ACD/IUPAC Name]
3-{[(3-Bromo-2-thienyl)methyl]amino}-1-pentanol [ACD/IUPAC Name]
3-{[(3-Bromo-2-thiényl)méthyl]amino}-1-pentanol [French] [ACD/IUPAC Name]
3-{[(3-BROMOTHIOPHEN-2-YL)METHYL]AMINO}PENTAN-1-OL

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

Density: 1.4±0.1 g/cm3
Boiling Point: 363.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 173.5±26.5 °C
Index of Refraction: 1.567
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.47
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 10.37
ACD/KOC (pH 7.4): 124.82
Polar Surface Area: 61 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 200.6±3.0 cm3

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