ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzyl]-1-piperazinecarboxylate | C21H33BN2O4

2-Methyl-2-propanyl 4-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzyl]-1-piperazinecarboxylate

  • Molecular FormulaC21H33BN2O4
  • Average mass388.309 Da
  • Monoisotopic mass388.253326 Da
  • ChemSpider ID26548790

More details:

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

1-Piperazinecarboxylic acid, 4-[[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[3-(5,5-Diméthyl-1,3,2-dioxaborinan-2-yl)benzyl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2096994-67-9 [RN]
MFCD08275231
TERT-BUTYL 4-[3-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZYL]PIPERAZINE-1-CARBOXYLATE
tert-Butyl 4-{[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]methyl}piperazine-1-carboxylate
tert-Butyl-4-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzyl]piperazin-1-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 497.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 254.7±28.7 °C
Index of Refraction: 1.537
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 51 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 348.0±5.0 cm3

Click to predict properties on the Chemicalize site


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