ChemSpider 2D Image | 1-Benzyl 2-methyl (2S)-1,2-piperazinedicarboxylate | C14H18N2O4

1-Benzyl 2-methyl (2S)-1,2-piperazinedicarboxylate

  • Molecular FormulaC14H18N2O4
  • Average mass278.304 Da
  • Monoisotopic mass278.126648 Da
  • ChemSpider ID21107729

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,2-Pipérazinedicarboxylate de 1-benzyle et de 2-méthyle [French] [ACD/IUPAC Name]
(S)-1-N-Cbz-piperazine-2-carboxylic acid methyl ester
1,2-Piperazinedicarboxylic acid, 2-methyl 1-(phenylmethyl) ester, (2S)- [ACD/Index Name]
1-Benzyl 2-methyl (2S)-1,2-piperazinedicarboxylate [ACD/IUPAC Name]
1-Benzyl 2-methyl (2S)-piperazine-1,2-dicarboxylate
1-Benzyl-2-methyl-(2S)-1,2-piperazindicarboxylat [German] [ACD/IUPAC Name]
314741-63-4 [RN]
(S)-1-benzyl 2-methyl piperazine-1,2-dicarboxylate
(S)-1-N-Cbz-piperazine-2-carboxylic acid methyl
(S)-1-N-Cbz-piperazine-2-carboxylic acid methylester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 406.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.8±3.0 kJ/mol
    Flash Point: 199.7±28.7 °C
    Index of Refraction: 1.538
    Molar Refractivity: 71.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.34
    ACD/LogD (pH 5.5): -0.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.87
    ACD/LogD (pH 7.4): 1.25
    ACD/BCF (pH 7.4): 4.66
    ACD/KOC (pH 7.4): 90.26
    Polar Surface Area: 68 Å2
    Polarizability: 28.4±0.5 10-24cm3
    Surface Tension: 46.2±3.0 dyne/cm
    Molar Volume: 229.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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