ChemSpider 2D Image | 8-Bromo-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine | C11H14BrNO2

8-Bromo-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine

  • Molecular FormulaC11H14BrNO2
  • Average mass272.138 Da
  • Monoisotopic mass271.020782 Da
  • ChemSpider ID23340687

More details:

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

1-Benzoxepin-4-amine, 8-bromo-2,3,4,5-tetrahydro-7-methoxy- [ACD/Index Name]
8-Brom-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amin [German] [ACD/IUPAC Name]
8-Bromo-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine [ACD/IUPAC Name]
8-Bromo-7-méthoxy-2,3,4,5-tétrahydro-1-benzoxépin-4-amine [French] [ACD/IUPAC Name]
754163-54-7 [RN]
8-bromo-7-methoxy-2,3,4,5-tetrahydrobenzo[b]oxepin-4-amine
CHEMBL451156
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL451156/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 350.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 166.0±27.9 °C
Index of Refraction: 1.562
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.97
Polar Surface Area: 44 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 192.8±3.0 cm3

Click to predict properties on the Chemicalize site


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