ChemSpider 2D Image | Bromadol | C22H28BrNO

Bromadol

  • Molecular FormulaC22H28BrNO
  • Average mass402.368 Da
  • Monoisotopic mass401.135406 Da
  • ChemSpider ID26001358

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Bromadol [Wiki]
Cyclohexanol, 4-(4-bromophenyl)-4-(dimethylamino)-1-(2-phenylethyl)-, trans- [ACD/Index Name]
trans-4-(4-Bromophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexanol [ACD/IUPAC Name]
trans-4-(4-Bromophényl)-4-(diméthylamino)-1-(2-phényléthyl)cyclohexanol [French] [ACD/IUPAC Name]
trans-4-(4-Bromphenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexanol [German] [ACD/IUPAC Name]
77239-98-6 [RN]
Bromadol HCL BDPC

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

Density: 1.3±0.1 g/cm3
Boiling Point: 488.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 249.4±28.7 °C
Index of Refraction: 1.614
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 12.38
ACD/KOC (pH 5.5): 32.59
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 415.05
ACD/KOC (pH 7.4): 1092.92
Polar Surface Area: 23 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 312.2±5.0 cm3

Click to predict properties on the Chemicalize site


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