ChemSpider 2D Image | Ethyl 4-{[(2-amino-2-oxoethyl)(isobutyl)amino]acetyl}-1-piperazinecarboxylate | C15H28N4O4

Ethyl 4-{[(2-amino-2-oxoethyl)(isobutyl)amino]acetyl}-1-piperazinecarboxylate

  • Molecular FormulaC15H28N4O4
  • Average mass328.407 Da
  • Monoisotopic mass328.211060 Da
  • ChemSpider ID29989411

More details:






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

1-Piperazinecarboxylic acid, 4-[2-[(2-amino-2-oxoethyl)(2-methylpropyl)amino]acetyl]-, ethyl ester [ACD/Index Name]
4-{2-[(2-Amino-2-oxoéthyl)(isobutyl)amino]acétyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[(2-amino-2-oxoethyl)(isobutyl)amino]acetyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[(2-amino-2-oxoethyl)(isobutyl)amino]acetyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 518.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.5±30.1 °C
Index of Refraction: 1.519
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.48
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 51.04
Polar Surface Area: 96 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 281.4±3.0 cm3

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