ChemSpider 2D Image | [4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl](2-methylphenyl)methanone | C30H38N4O3

[4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl](2-methylphenyl)methanone

  • Molecular FormulaC30H38N4O3
  • Average mass502.648 Da
  • Monoisotopic mass502.294403 Da
  • ChemSpider ID4299350

More details:

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

[4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl](2-methylphenyl)methanon [German] [ACD/IUPAC Name]
[4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl](2-methylphenyl)methanone [ACD/IUPAC Name]
[4-(3-{[1-(Adamantan-1-yl)éthyl]amino}-4-nitrophényl)-1-pipérazinyl](2-méthylphényl)méthanone [French] [ACD/IUPAC Name]
[4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](2-methylphenyl)methanone
Methanone, (2-methylphenyl)[4-[4-nitro-3-[(1-tricyclo[3.3.1.13,7]dec-1-ylethyl)amino]phenyl]-1-piperazinyl]- [ACD/Index Name]
(2-methylphenyl)[4-(4-nitro-3-{[1-(tricyclo[3.3.1.13,7]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]methanone
[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(2-methylphenyl)methanone
{4-[3-(1-Adamantan-1-yl-ethylamino)-4-nitro-phenyl]-piperazin-1-yl}-o-tolyl-methanone
525573-13-1 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 703.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.0±3.0 kJ/mol
    Flash Point: 379.5±32.9 °C
    Index of Refraction: 1.642
    Molar Refractivity: 145.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 7.15
    ACD/LogD (pH 5.5): 6.37
    ACD/BCF (pH 5.5): 40566.82
    ACD/KOC (pH 5.5): 69199.45
    ACD/LogD (pH 7.4): 6.37
    ACD/BCF (pH 7.4): 40569.80
    ACD/KOC (pH 7.4): 69204.55
    Polar Surface Area: 81 Å2
    Polarizability: 57.6±0.5 10-24cm3
    Surface Tension: 57.7±3.0 dyne/cm
    Molar Volume: 402.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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