ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(chlorocarbonyl)-1,4-diazepane-1-carboxylate | C11H19ClN2O3

2-Methyl-2-propanyl 4-(chlorocarbonyl)-1,4-diazepane-1-carboxylate

  • Molecular FormulaC11H19ClN2O3
  • Average mass262.733 Da
  • Monoisotopic mass262.108429 Da
  • ChemSpider ID58820733

More details:

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

1H-1,4-Diazepine-1-carboxylic acid, 4-(chlorocarbonyl)hexahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(chlorocarbonyl)-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(chlorcarbonyl)-1,4-diazepan-1-carboxylat [German] [ACD/IUPAC Name]
4-(Chlorocarbonyl)-1,4-diazépane-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1380171-14-1 [RN]
MFCD10566318
tert-butyl 4-(carbonochloridoyl)-1,4-diazepane-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 370.3±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 177.8±24.8 °C
Index of Refraction: 1.498
Molar Refractivity: 64.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 5.02
ACD/KOC (pH 5.5): 110.39
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 5.02
ACD/KOC (pH 7.4): 110.39
Polar Surface Area: 50 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 219.6±3.0 cm3

Click to predict properties on the Chemicalize site


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