ChemSpider 2D Image | Bag-1 | C22H27N3

Bag-1

  • Molecular FormulaC22H27N3
  • Average mass333.470 Da
  • Monoisotopic mass333.220490 Da
  • ChemSpider ID24669430

More details:

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

2-(4-{2-[4-(2,2-Dimethylbutyl)-1H-imidazol-2-yl]ethyl}phenyl)pyridin [German] [ACD/IUPAC Name]
2-(4-{2-[4-(2,2-Dimethylbutyl)-1H-imidazol-2-yl]ethyl}phenyl)pyridine [ACD/IUPAC Name]
2-(4-{2-[4-(2,2-Diméthylbutyl)-1H-imidazol-2-yl]éthyl}phényl)pyridine [French] [ACD/IUPAC Name]
Bag-1
Pyridine, 2-[4-[2-[4-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]- [ACD/Index Name]
[1021937-07-4] [RN]
1021937-07-4 [RN]
2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)pyridine
2-(4-(2-(5-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)pyridine
2-(4-{2-[5-(2,2-Dimethylbutyl)-1H-imidazol-2-yl]ethyl}phenyl)pyridine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 546.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 239.0±21.7 °C
Index of Refraction: 1.578
Molar Refractivity: 103.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 14.20
ACD/KOC (pH 5.5): 50.24
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 426.79
ACD/KOC (pH 7.4): 1509.99
Polar Surface Area: 42 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 311.9±3.0 cm3

Click to predict properties on the Chemicalize site


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