ChemSpider 2D Image | tert-Butyl 4-[4-(methylamino)benzyl]piperazine-1-carboxylate | C17H27N3O2

tert-Butyl 4-[4-(methylamino)benzyl]piperazine-1-carboxylate

  • Molecular FormulaC17H27N3O2
  • Average mass305.415 Da
  • Monoisotopic mass305.210327 Da
  • ChemSpider ID24597553

More details:

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

1-Piperazinecarboxylic acid, 4-[[4-(methylamino)phenyl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[4-(methylamino)benzyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[4-(methylamino)benzyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[4-(Méthylamino)benzyl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
954240-26-7 [RN]
tert-Butyl 4-[4-(methylamino)benzyl]piperazine-1-carboxylate
tert-Butyl 4-{[4-(methylamino)phenyl]methyl}piperazine-1-carboxylate
[954240-26-7] [RN]
1-Boc-4-(4-Methylaminobenzyl)piperazine
4-(4-METHYLAMINO-BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
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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: 420.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.4±3.0 kJ/mol
    Flash Point: 207.8±28.7 °C
    Index of Refraction: 1.566
    Molar Refractivity: 89.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): 1.42
    ACD/BCF (pH 5.5): 3.53
    ACD/KOC (pH 5.5): 37.78
    ACD/LogD (pH 7.4): 2.59
    ACD/BCF (pH 7.4): 52.12
    ACD/KOC (pH 7.4): 558.61
    Polar Surface Area: 45 Å2
    Polarizability: 35.3±0.5 10-24cm3
    Surface Tension: 46.9±3.0 dyne/cm
    Molar Volume: 273.5±3.0 cm3

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