ChemSpider 2D Image | Bromantane | C16H20BrN

Bromantane

  • Molecular FormulaC16H20BrN
  • Average mass306.241 Da
  • Monoisotopic mass305.077911 Da
  • ChemSpider ID29365327

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1r,3r,5r,7r)-N-(4-Bromophenyl)-2-adamantanamine [ACD/IUPAC Name]
(1r,3r,5r,7r)-N-(4-Bromophényl)-2-adamantanamine [French] [ACD/IUPAC Name]
(1r,3r,5r,7r)-N-(4-Bromphenyl)-2-adamantanamin [German] [ACD/IUPAC Name]
87913-26-6 [RN]
Bromantane [Wiki]
N-(2-Adamantyl)-n-(4-bromophenyl)amine
Tricyclo[3.3.1.13,7]decan-2-amine, N-(4-bromophenyl)- [ACD/Index Name]
[87913-26-6] [RN]
2-(4-Bromophenyl)aminoadamantane
MFCD02101627
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 404.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.6±24.0 °C
Index of Refraction: 1.637
Molar Refractivity: 79.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6091.46
ACD/KOC (pH 5.5): 17664.54
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6269.05
ACD/KOC (pH 7.4): 18179.53
Polar Surface Area: 12 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 220.6±3.0 cm3

Click to predict properties on the Chemicalize site


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