ChemSpider 2D Image | (R)-1-BENZYL 4-TERT-BUTYL 2-(AMINOMETHYL)PIPERAZINE-1,4-DICARBOXYLATE | C18H27N3O4

(R)-1-BENZYL 4-TERT-BUTYL 2-(AMINOMETHYL)PIPERAZINE-1,4-DICARBOXYLATE

  • Molecular FormulaC18H27N3O4
  • Average mass349.425 Da
  • Monoisotopic mass349.200165 Da
  • ChemSpider ID22837214

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(Aminométhyl)-1,4-pipérazinedicarboxylate de 1-benzyle et de 4-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
(R)-1-BENZYL 4-TERT-BUTYL 2-(AMINOMETHYL)PIPERAZINE-1,4-DICARBOXYLATE
1,4-Piperazinedicarboxylic acid, 2-(aminomethyl)-, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R)- [ACD/Index Name]
1212316-00-1 [RN]
1-Benzyl 4-(2-methyl-2-propanyl) (2R)-2-(aminomethyl)-1,4-piperazinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-4-(2-methyl-2-propanyl)-(2R)-2-(aminomethyl)-1,4-piperazindicarboxylat [German] [ACD/IUPAC Name]
1-benzyl 4-tert-butyl (2R)-2-(aminomethyl)piperazine-1,4-dicarboxylate
MFCD09971768 [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: 472.2±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.5±3.0 kJ/mol
    Flash Point: 239.4±24.6 °C
    Index of Refraction: 1.542
    Molar Refractivity: 94.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.61
    ACD/LogD (pH 5.5): -0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 37.3±0.5 10-24cm3
    Surface Tension: 47.1±3.0 dyne/cm
    Molar Volume: 298.8±3.0 cm3

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