ChemSpider 2D Image | 4-{[(5-Bromo-2-thienyl)methyl]amino}-2-butanol | C9H14BrNOS

4-{[(5-Bromo-2-thienyl)methyl]amino}-2-butanol

  • Molecular FormulaC9H14BrNOS
  • Average mass264.183 Da
  • Monoisotopic mass262.997925 Da
  • ChemSpider ID31037422

More details:

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

2-Butanol, 4-[[(5-bromo-2-thienyl)methyl]amino]- [ACD/Index Name]
4-{[(5-Brom-2-thienyl)methyl]amino}-2-butanol [German] [ACD/IUPAC Name]
4-{[(5-Bromo-2-thienyl)methyl]amino}-2-butanol [ACD/IUPAC Name]
4-{[(5-Bromo-2-thiényl)méthyl]amino}-2-butanol [French] [ACD/IUPAC Name]
1339637-77-2 [RN]
4-{[(5-bromothiophen-2-yl)methyl]amino}butan-2-ol
MFCD20391312

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

Density: 1.4±0.1 g/cm3
Boiling Point: 351.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 166.4±26.5 °C
Index of Refraction: 1.575
Molar Refractivity: 60.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 2.50
ACD/KOC (pH 7.4): 35.46
Polar Surface Area: 61 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 184.1±3.0 cm3

Click to predict properties on the Chemicalize site


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