ChemSpider 2D Image | 2-(3-Bromophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane | C16H21BrN2

2-(3-Bromophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane

  • Molecular FormulaC16H21BrN2
  • Average mass321.255 Da
  • Monoisotopic mass320.088806 Da
  • ChemSpider ID23718568

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

1,3-Diazatricyclo[3.3.1.13,7]decane, 2-(3-bromophenyl)-5,7-dimethyl- [ACD/Index Name]
2-(3-Bromophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane [ACD/IUPAC Name]
2-(3-Bromophényl)-5,7-diméthyl-1,3-diazatricyclo[3.3.1.13,7]décane [French] [ACD/IUPAC Name]
2-(3-Bromphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 353.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 167.6±26.5 °C
Index of Refraction: 1.653
Molar Refractivity: 82.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 26.04
ACD/KOC (pH 5.5): 159.54
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 373.61
ACD/KOC (pH 7.4): 2288.70
Polar Surface Area: 6 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 225.1±5.0 cm3

Click to predict properties on the Chemicalize site


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