ChemSpider 2D Image | tert-butyl (3S)-3-(cyanomethyl)piperazine-1-carboxylate | C11H19N3O2

tert-butyl (3S)-3-(cyanomethyl)piperazine-1-carboxylate

  • Molecular FormulaC11H19N3O2
  • Average mass225.288 Da
  • Monoisotopic mass225.147720 Da
  • ChemSpider ID71060563

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(Cyanométhyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1589082-06-3 [RN]
1-Piperazinecarboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-(cyanomethyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-(cyanmethyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
tert-butyl (3S)-3-(cyanomethyl)piperazine-1-carboxylate
(S)-tert-Butyl 3-(cyanomethyl)piperazine-1-carboxylate
BS-15995
tert-butyl(s)-3-(cyanomethyl)piperazine-1-carboxylate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 361.1±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.7±3.0 kJ/mol
    Flash Point: 172.2±20.9 °C
    Index of Refraction: 1.473
    Molar Refractivity: 59.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.08
    ACD/LogD (pH 5.5): -0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.32
    ACD/LogD (pH 7.4): 0.59
    ACD/BCF (pH 7.4): 1.46
    ACD/KOC (pH 7.4): 39.79
    Polar Surface Area: 65 Å2
    Polarizability: 23.6±0.5 10-24cm3
    Surface Tension: 37.8±3.0 dyne/cm
    Molar Volume: 211.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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