ChemSpider 2D Image | 2-Methyl-2-propanyl {1-[(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-oxo-2-propanyl}carbamate | C16H21BrN2O5

2-Methyl-2-propanyl {1-[(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-oxo-2-propanyl}carbamate

  • Molecular FormulaC16H21BrN2O5
  • Average mass401.252 Da
  • Monoisotopic mass400.063385 Da
  • ChemSpider ID30518968

More details:

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

{1-[(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-oxo-2-propanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {1-[(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-oxo-2-propanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[(7-brom-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-oxo-2-propanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index 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: 536.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.3±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.23
ACD/KOC (pH 5.5): 1034.10
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.19
ACD/KOC (pH 7.4): 1033.76
Polar Surface Area: 86 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 279.4±3.0 cm3

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