ChemSpider 2D Image | tert-Butyl-(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-carboxylat | C17H26N2O3

tert-Butyl-(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-carboxylat

  • Molecular FormulaC17H26N2O3
  • Average mass306.400 Da
  • Monoisotopic mass306.194336 Da
  • ChemSpider ID21791848

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-Benzyl-2-(hydroxyméthyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 2-(hydroxymethyl)-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-4-benzyl-2-(hydroxymethyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-4-benzyl-2-(hydroxymethyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
947275-34-5 [RN]
tert-Butyl (2S)-4-benzyl-2-(hydroxymethyl)piperazine-1-carboxylate
tert-Butyl-(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-carboxylat
(S)-1-Boc-4-Benzyl-2-(hydroxymethyl)piperazine
(S)-tert-Butyl 4-benzyl-2-(hydroxymethyl)piperazine-1-carboxylate
[947275-34-5] [RN]
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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: 1.1±0.1 g/cm3
    Boiling Point: 401.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.8±3.0 kJ/mol
    Flash Point: 196.7±27.3 °C
    Index of Refraction: 1.542
    Molar Refractivity: 85.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.74
    ACD/LogD (pH 5.5): 1.63
    ACD/BCF (pH 5.5): 6.84
    ACD/KOC (pH 5.5): 86.16
    ACD/LogD (pH 7.4): 2.32
    ACD/BCF (pH 7.4): 33.85
    ACD/KOC (pH 7.4): 426.60
    Polar Surface Area: 53 Å2
    Polarizability: 34.0±0.5 10-24cm3
    Surface Tension: 44.5±3.0 dyne/cm
    Molar Volume: 272.6±3.0 cm3

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