ChemSpider 2D Image | (S)-1-BENZYL 4-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1,4-DICARBOXYLATE | C18H26N2O5

(S)-1-BENZYL 4-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1,4-DICARBOXYLATE

  • Molecular FormulaC18H26N2O5
  • Average mass350.409 Da
  • Monoisotopic mass350.184174 Da
  • ChemSpider ID22837213

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Hydroxyméthyl)-1,4-pipérazinedicarboxylate de 1-benzyle et de 4-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
(S)-1-BENZYL 4-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1,4-DICARBOXYLATE
1,4-Piperazinedicarboxylic acid, 2-(hydroxymethyl)-, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2S)- [ACD/Index Name]
1-Benzyl 4-(2-methyl-2-propanyl) (2S)-2-(hydroxymethyl)-1,4-piperazinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-4-(2-methyl-2-propanyl)-(2S)-2-(hydroxymethyl)-1,4-piperazindicarboxylat [German] [ACD/IUPAC Name]
529516-61-8 [RN]
1-benzyl 4-tert-butyl (2S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate
MFCD09971767 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 480.5±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.5±3.0 kJ/mol
    Flash Point: 244.4±24.6 °C
    Index of Refraction: 1.542
    Molar Refractivity: 92.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.55
    ACD/LogD (pH 5.5): 2.66
    ACD/BCF (pH 5.5): 61.41
    ACD/KOC (pH 5.5): 663.21
    ACD/LogD (pH 7.4): 2.66
    ACD/BCF (pH 7.4): 61.41
    ACD/KOC (pH 7.4): 663.21
    Polar Surface Area: 79 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 47.9±3.0 dyne/cm
    Molar Volume: 292.6±3.0 cm3

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