ChemSpider 2D Image | 3-Bromo-5-chloro-2-ethoxy-N-[(5-methyl-2-thienyl)methyl]aniline | C14H15BrClNOS

3-Bromo-5-chloro-2-ethoxy-N-[(5-methyl-2-thienyl)methyl]aniline

  • Molecular FormulaC14H15BrClNOS
  • Average mass360.697 Da
  • Monoisotopic mass358.974609 Da
  • ChemSpider ID33225238

More details:

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

2-Thiophenemethanamine, N-(3-bromo-5-chloro-2-ethoxyphenyl)-5-methyl- [ACD/Index Name]
3-Brom-5-chlor-2-ethoxy-N-[(5-methyl-2-thienyl)methyl]anilin [German] [ACD/IUPAC Name]
3-Bromo-5-chloro-2-ethoxy-N-[(5-methyl-2-thienyl)methyl]aniline [ACD/IUPAC Name]
3-Bromo-5-chloro-2-éthoxy-N-[(5-méthyl-2-thiényl)méthyl]aniline [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 428.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.8±28.7 °C
Index of Refraction: 1.636
Molar Refractivity: 87.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13910.40
ACD/KOC (pH 5.5): 32162.97
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 13914.22
ACD/KOC (pH 7.4): 32171.80
Polar Surface Area: 50 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 244.0±3.0 cm3

Click to predict properties on the Chemicalize site


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