ChemSpider 2D Image | 1-Boc-4-Isoquinolin-1-yl-piperazine | C18H23N3O2

1-Boc-4-Isoquinolin-1-yl-piperazine

  • Molecular FormulaC18H23N3O2
  • Average mass313.394 Da
  • Monoisotopic mass313.179016 Da
  • ChemSpider ID26324810

More details:

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

1-Boc-4-Isoquinolin-1-yl-piperazine
1-Piperazinecarboxylic acid, 4-(1-isoquinolinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
205264-33-1 [RN]
2-Methyl-2-propanyl 4-(1-isoquinolinyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(1-isochinolinyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(1-Isoquinoléinyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
[205264-33-1] [RN]
4-(1-isoquinolyl)-1-piperazinecarboxylic acid tert-butyl ester
AGN-PC-0A6TLF
AKOS015840781
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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: 1.2±0.1 g/cm3
    Boiling Point: 476.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.0±3.0 kJ/mol
    Flash Point: 241.8±25.9 °C
    Index of Refraction: 1.595
    Molar Refractivity: 90.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): 0.91
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.51
    ACD/LogD (pH 7.4): 1.63
    ACD/BCF (pH 7.4): 3.86
    ACD/KOC (pH 7.4): 29.01
    Polar Surface Area: 46 Å2
    Polarizability: 36.0±0.5 10-24cm3
    Surface Tension: 49.7±3.0 dyne/cm
    Molar Volume: 267.3±3.0 cm3

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