ChemSpider 2D Image | 4-(2-Bromopropanoyl)-1-methyl-1,4-diazepan-2-one | C9H15BrN2O2

4-(2-Bromopropanoyl)-1-methyl-1,4-diazepan-2-one

  • Molecular FormulaC9H15BrN2O2
  • Average mass263.132 Da
  • Monoisotopic mass262.031677 Da
  • ChemSpider ID55964802

More details:

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

1701505-89-6 [RN]
2H-1,4-Diazepin-2-one, 4-(2-bromo-1-oxopropyl)hexahydro-1-methyl- [ACD/Index Name]
4-(2-Bromopropanoyl)-1-methyl-1,4-diazepan-2-one [ACD/IUPAC Name]
4-(2-Bromopropanoyl)-1-méthyl-1,4-diazépan-2-one [French] [ACD/IUPAC Name]
4-(2-Brompropanoyl)-1-methyl-1,4-diazepan-2-on [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: 408.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 201.0±27.3 °C
Index of Refraction: 1.526
Molar Refractivity: 56.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.02
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.02
Polar Surface Area: 41 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 184.1±3.0 cm3

Click to predict properties on the Chemicalize site


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