ChemSpider 2D Image | 4-Bromo-2-[(E)-{[(3,5,7-trimethyladamantan-1-yl)methyl]imino}methyl]phenol | C21H28BrNO

4-Bromo-2-[(E)-{[(3,5,7-trimethyladamantan-1-yl)methyl]imino}methyl]phenol

  • Molecular FormulaC21H28BrNO
  • Average mass390.357 Da
  • Monoisotopic mass389.135406 Da
  • ChemSpider ID21537680

  • Double-bond stereo - Double-bond stereo

More details:

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

4-Brom-2-[(E)-{[(3,5,7-trimethyladamantan-1-yl)methyl]imino}methyl]phenol [German] [ACD/IUPAC Name]
4-Bromo-2-[(E)-{[(3,5,7-trimethyladamantan-1-yl)methyl]imino}methyl]phenol [ACD/IUPAC Name]
4-Bromo-2-[(E)-{[(3,5,7-triméthyladamantan-1-yl)méthyl]imino}méthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 4-bromo-2-[(E)-[[(3,5,7-trimethyltricyclo[3.3.1.13,7]dec-1-yl)methyl]imino]methyl]- [ACD/Index Name]
4-BROMO-2-[(E)-(3,5,7-TRIMETHYL-1-ADAMANTYL)METHYLIMINOMETHYL]PHENOL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 448.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 225.0±25.9 °C
Index of Refraction: 1.622
Molar Refractivity: 102.2±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.67
ACD/LogD (pH 5.5): 6.90
ACD/BCF (pH 5.5): 89033.41
ACD/KOC (pH 5.5): 102792.73
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 98212.66
ACD/KOC (pH 7.4): 113390.55
Polar Surface Area: 33 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 290.0±7.0 cm3

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