ChemSpider 2D Image | (S)-1-Boc-3-Isopropylpiperazine | C12H24N2O2

(S)-1-Boc-3-Isopropylpiperazine

  • Molecular FormulaC12H24N2O2
  • Average mass228.331 Da
  • Monoisotopic mass228.183777 Da
  • ChemSpider ID21109277

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Isopropyl-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-1-Boc-3-isopropyl-piperazine
(S)-1-Boc-3-Isopropylpiperazine
1-Piperazinecarboxylic acid, 3-(1-methylethyl)-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-isopropyl-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-isopropyl-1-piperazincarboxylat [German] [ACD/IUPAC Name]
475272-54-9 [RN]
MFCD07772112 [MDL number]
tert-butyl (3S)-3-isopropyl-1-piperazinecarboxylate
(S)-1-Boc- 3-isopropyl-piperazine
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 298.4±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.8±3.0 kJ/mol
    Flash Point: 134.2±20.4 °C
    Index of Refraction: 1.462
    Molar Refractivity: 64.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.92
    ACD/LogD (pH 5.5): 0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.42
    ACD/LogD (pH 7.4): 1.88
    ACD/BCF (pH 7.4): 12.36
    ACD/KOC (pH 7.4): 157.53
    Polar Surface Area: 42 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 31.9±3.0 dyne/cm
    Molar Volume: 232.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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