ChemSpider 2D Image | 1-(4-Bromo-2,5-dimethoxyphenyl)-2-butanamine | C12H18BrNO2

1-(4-Bromo-2,5-dimethoxyphenyl)-2-butanamine

  • Molecular FormulaC12H18BrNO2
  • Average mass288.181 Da
  • Monoisotopic mass287.052094 Da
  • ChemSpider ID23256805

More details:

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

1-(4-Brom-2,5-dimethoxyphenyl)-2-butanamin [German] [ACD/IUPAC Name]
1-(4-Bromo-2,5-dimethoxyphenyl)-2-butanamine [ACD/IUPAC Name]
1-(4-Bromo-2,5-diméthoxyphényl)-2-butanamine [French] [ACD/IUPAC Name]
1-(4-bromo-2,5-dimethoxyphenyl)butan-2-amine
Benzeneethanamine, 4-bromo-α-ethyl-2,5-dimethoxy- [ACD/Index Name]
1-(4-Bromo-2,5-dimethoxy-benzyl)-propylamine
CHEMBL365711
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL365711/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 355.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 168.7±26.5 °C
Index of Refraction: 1.535
Molar Refractivity: 69.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.19
Polar Surface Area: 44 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 223.5±3.0 cm3

Click to predict properties on the Chemicalize site


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