ChemSpider 2D Image | 2-Bromo-4-({[4-(2,4-dimethylbenzyl)-1-piperazinyl]imino}methyl)-6-methoxyphenol | C21H26BrN3O2

2-Bromo-4-({[4-(2,4-dimethylbenzyl)-1-piperazinyl]imino}methyl)-6-methoxyphenol

  • Molecular FormulaC21H26BrN3O2
  • Average mass432.354 Da
  • Monoisotopic mass431.120819 Da
  • ChemSpider ID22823198

More details:

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

2-Brom-4-({[4-(2,4-dimethylbenzyl)-1-piperazinyl]imino}methyl)-6-methoxyphenol [German] [ACD/IUPAC Name]
2-Bromo-4-({[4-(2,4-dimethylbenzyl)-1-piperazinyl]imino}methyl)-6-methoxyphenol [ACD/IUPAC Name]
2-Bromo-4-({[4-(2,4-diméthylbenzyl)-1-pipérazinyl]imino}méthyl)-6-méthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 2-bromo-4-[[[4-[(2,4-dimethylphenyl)methyl]-1-piperazinyl]imino]methyl]-6-methoxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 543.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 282.3±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 111.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 161.23
ACD/KOC (pH 5.5): 732.16
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 924.34
ACD/KOC (pH 7.4): 4197.58
Polar Surface Area: 48 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 325.0±7.0 cm3

Click to predict properties on the Chemicalize site


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