ChemSpider 2D Image | 2-Methyl-2-propanyl 6-bromo-2,3,4,5-tetrahydro-1H-azepine-1-carboxylate | C11H18BrNO2

2-Methyl-2-propanyl 6-bromo-2,3,4,5-tetrahydro-1H-azepine-1-carboxylate

  • Molecular FormulaC11H18BrNO2
  • Average mass276.170 Da
  • Monoisotopic mass275.052094 Da
  • ChemSpider ID64949378

More details:

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

1H-Azepine-1-carboxylic acid, 6-bromo-2,3,4,5-tetrahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-bromo-2,3,4,5-tetrahydro-1H-azepine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-brom-2,3,4,5-tetrahydro-1H-azepin-1-carboxylat [German] [ACD/IUPAC Name]
6-Bromo-2,3,4,5-tétrahydro-1H-azépine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2126159-83-7 [RN]
MFCD31381340
tert-butyl 6-bromo-2,3,4,5-tetrahydro-1H-azepine-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 308.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 140.4±27.9 °C
Index of Refraction: 1.522
Molar Refractivity: 63.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.70
ACD/KOC (pH 5.5): 1266.94
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.70
ACD/KOC (pH 7.4): 1266.94
Polar Surface Area: 30 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 208.1±3.0 cm3

Click to predict properties on the Chemicalize site


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