ChemSpider 2D Image | (S)-tert-butyl 2,4-dibenzylpiperazine-1-carboxylate | C23H30N2O2

(S)-tert-butyl 2,4-dibenzylpiperazine-1-carboxylate

  • Molecular FormulaC23H30N2O2
  • Average mass366.496 Da
  • Monoisotopic mass366.230713 Da
  • ChemSpider ID18894817

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2,4-Dibenzyl-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-tert-butyl 2,4-dibenzylpiperazine-1-carboxylate
1,1-Dimethylethyl (2S)-2,4-bis(phenylmethyl)-1-piperazinecarboxylate
169447-85-2 [RN]
1-Piperazinecarboxylic acid, 2,4-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2,4-dibenzyl-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2,4-dibenzyl-1-piperazincarboxylat [German] [ACD/IUPAC Name]
tert-Butyl (2S)-2,4-dibenzylpiperazine-1-carboxylate
(R)-tert-butyl 2,4-dibenzylpiperazine-1-carboxylate
481038-74-8 [RN]
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 468.5±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.1±3.0 kJ/mol
    Flash Point: 237.2±26.8 °C
    Index of Refraction: 1.568
    Molar Refractivity: 108.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.61
    ACD/LogD (pH 5.5): 3.57
    ACD/BCF (pH 5.5): 202.54
    ACD/KOC (pH 5.5): 969.26
    ACD/LogD (pH 7.4): 4.27
    ACD/BCF (pH 7.4): 1020.72
    ACD/KOC (pH 7.4): 4884.55
    Polar Surface Area: 33 Å2
    Polarizability: 43.1±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 332.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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