ChemSpider 2D Image | 2-Methyl-2-propanyl 6-(2-amino-3,5-dibromophenyl)-4-methyl-1,4-diazepane-1-carboxylate | C17H25Br2N3O2

2-Methyl-2-propanyl 6-(2-amino-3,5-dibromophenyl)-4-methyl-1,4-diazepane-1-carboxylate

  • Molecular FormulaC17H25Br2N3O2
  • Average mass463.207 Da
  • Monoisotopic mass461.031342 Da
  • ChemSpider ID97353766

More details:

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

1H-1,4-Diazepine-1-carboxylic acid, 6-(2-amino-3,5-dibromophenyl)hexahydro-4-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-(2-amino-3,5-dibromophenyl)-4-methyl-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-(2-amino-3,5-dibromphenyl)-4-methyl-1,4-diazepan-1-carboxylat [German] [ACD/IUPAC Name]
6-(2-Amino-3,5-dibromophényl)-4-méthyl-1,4-diazépane-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 461.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.0±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 2.36
ACD/KOC (pH 5.5): 14.50
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 118.16
ACD/KOC (pH 7.4): 725.82
Polar Surface Area: 59 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 312.3±3.0 cm3

Click to predict properties on the Chemicalize site


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