ChemSpider 2D Image | 2,2'-{1,3-Phenylenebis[2,1-ethynediyl(5-bromo-3,1-phenylene)]}diethanamine | C26H22Br2N2

2,2'-{1,3-Phenylenebis[2,1-ethynediyl(5-bromo-3,1-phenylene)]}diethanamine

  • Molecular FormulaC26H22Br2N2
  • Average mass522.274 Da
  • Monoisotopic mass520.014954 Da
  • ChemSpider ID9539352

More details:

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

2,2'-{1,3-Phenylenbis[2,1-ethindiyl(5-brom-3,1-phenylen)]}diethanamin [German] [ACD/IUPAC Name]
2,2'-{1,3-Phenylenebis[2,1-ethynediyl(5-bromo-3,1-phenylene)]}diethanamine [ACD/IUPAC Name]
2,2'-{1,3-Phénylènebis[2,1-éthynediyl(5-bromo-3,1-phénylène)]}diéthanamine [French] [ACD/IUPAC Name]
2,2'-{benzene-1,3-Diylbis[ethyne-2,1-Diyl(5-Bromobenzene-3,1-Diyl)]}diethanamine
862013-56-7 [RN]
Benzeneethanamine, 3,3'-(1,3-phenylenedi-2,1-ethynediyl)bis[5-bromo- [ACD/Index Name]
0YV
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL484085/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 665.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.6±31.5 °C
Index of Refraction: 1.709
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 2.42
ACD/KOC (pH 5.5): 4.48
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 3.70
ACD/KOC (pH 7.4): 6.84
Polar Surface Area: 52 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 338.0±5.0 cm3

Click to predict properties on the Chemicalize site


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