ChemSpider 2D Image | 2,2-dimethyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid | C17H21N3O5

2,2-dimethyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid

  • Molecular FormulaC17H21N3O5
  • Average mass347.366 Da
  • Monoisotopic mass347.148132 Da
  • ChemSpider ID21800885

More details:

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

1142214-93-4 [RN]
2,2-dimethyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
2,2-Dimethyl-3-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}cyclopropancarbonsäure [German] [ACD/IUPAC Name]
2,2-Dimethyl-3-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}cyclopropanecarboxylic acid [ACD/IUPAC Name]
2,2-dimethyl-3-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}cyclopropanecarboxylic acid
Acide 2,2-diméthyl-3-{[4-(4-nitrophényl)-1-pipérazinyl]carbonyl}cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]carbonyl]- [ACD/Index Name]
[1142214-93-4] [RN]
2,2-dimethyl-3-(4-(4-nitrophenyl)piperazine-1-carbonyl)cyclopropanecarboxylic acid
2,2-Dimethyl-3-{[4-(4-nitrophenyl)piperazin-1-yl]-carbonyl}cyclopropanecarboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12027542 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 602.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.3±3.0 kJ/mol
    Flash Point: 318.2±31.5 °C
    Index of Refraction: 1.608
    Molar Refractivity: 88.4±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.64
    ACD/LogD (pH 5.5): 0.92
    ACD/BCF (pH 5.5): 1.63
    ACD/KOC (pH 5.5): 24.56
    ACD/LogD (pH 7.4): -0.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 107 Å2
    Polarizability: 35.0±0.5 10-24cm3
    Surface Tension: 60.9±3.0 dyne/cm
    Molar Volume: 255.8±3.0 cm3

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