ChemSpider 2D Image | Methyl 4-({[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetyl}amino)butanoate | C16H29N3O4

Methyl 4-({[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetyl}amino)butanoate

  • Molecular FormulaC16H29N3O4
  • Average mass327.419 Da
  • Monoisotopic mass327.215820 Da
  • ChemSpider ID22156850

More details:

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

4-({2-[1-(3-Méthylbutyl)-3-oxo-2-pipérazinyl]acétyl}amino)butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-({[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetyl}amino)butanoate [ACD/IUPAC Name]
Methyl-4-({[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetyl}amino)butanoat [German] [ACD/IUPAC Name]
METHYL 4-{2-[1-(3-METHYLBUTYL)-3-OXOPIPERAZIN-2-YL]ACETAMIDO}BUTANOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 556.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 290.0±28.7 °C
Index of Refraction: 1.476
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.23
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.20
Polar Surface Area: 88 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 307.0±3.0 cm3

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