ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(2-{[(2-methyl-2-propanyl)carbamoyl]amino}ethyl)-1-piperazinecarboxylate | C16H32N4O3

2-Methyl-2-propanyl 4-(2-{[(2-methyl-2-propanyl)carbamoyl]amino}ethyl)-1-piperazinecarboxylate

  • Molecular FormulaC16H32N4O3
  • Average mass328.450 Da
  • Monoisotopic mass328.247437 Da
  • ChemSpider ID58377890

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[[(1,1-dimethylethyl)amino]carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(2-{[(2-methyl-2-propanyl)carbamoyl]amino}ethyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(2-{[(2-methyl-2-propanyl)carbamoyl]amino}ethyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(2-{[(2-Méthyl-2-propanyl)carbamoyl]amino}éthyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-(2-(3-(tert-butyl)ureido)ethyl)piperazine-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: 480.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 244.1±27.3 °C
Index of Refraction: 1.492
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 27.73
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 8.98
ACD/KOC (pH 7.4): 164.38
Polar Surface Area: 74 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 310.7±3.0 cm3

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