ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-4-[4-(2-methoxy-2-oxoethyl)benzyl]-2-methyl-1-piperazinecarboxylate | C20H30N2O4

2-Methyl-2-propanyl (2S)-4-[4-(2-methoxy-2-oxoethyl)benzyl]-2-methyl-1-piperazinecarboxylate

  • Molecular FormulaC20H30N2O4
  • Average mass362.463 Da
  • Monoisotopic mass362.220551 Da
  • ChemSpider ID58791367

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-[4-(2-Méthoxy-2-oxoéthyl)benzyl]-2-méthyl-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl (2S)-4-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]-2-methyl-1-piperazinecarboxylate
1-Piperazinecarboxylic acid, 4-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]-2-methyl-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-4-[4-(2-methoxy-2-oxoethyl)benzyl]-2-methyl-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-4-[4-(2-methoxy-2-oxoethyl)benzyl]-2-methyl-1-piperazincarboxylat [German] [ACD/IUPAC Name]
923565-72-4 [RN]
(S)-tert-butyl 4-(4-(2-methoxy-2-oxoethyl)benzyl)-2-methylpiperazine-1-carboxylate
CS-14799
MFCD28167922

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 444.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.3±3.0 kJ/mol
    Flash Point: 222.7±28.7 °C
    Index of Refraction: 1.525
    Molar Refractivity: 100.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.72
    ACD/LogD (pH 5.5): 2.65
    ACD/BCF (pH 5.5): 41.70
    ACD/KOC (pH 5.5): 321.12
    ACD/LogD (pH 7.4): 3.32
    ACD/BCF (pH 7.4): 192.45
    ACD/KOC (pH 7.4): 1482.13
    Polar Surface Area: 59 Å2
    Polarizability: 39.7±0.5 10-24cm3
    Surface Tension: 41.8±3.0 dyne/cm
    Molar Volume: 326.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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