ChemSpider 2D Image | 2,5-Bis-(tert-butylamino-methyl)-1,6-bis-(4-propoxy-phenyl)-hexane-1,6-dione | C34H52N2O4

2,5-Bis-(tert-butylamino-methyl)-1,6-bis-(4-propoxy-phenyl)-hexane-1,6-dione

  • Molecular FormulaC34H52N2O4
  • Average mass552.788 Da
  • Monoisotopic mass552.392700 Da
  • ChemSpider ID2378974

More details:

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

1,6-Hexanedione, 2,5-bis[[(1,1-dimethylethyl)amino]methyl]-1,6-bis(4-propoxyphenyl)- [ACD/Index Name]
2,5-Bis-(tert-butylamino-methyl)-1,6-bis-(4-propoxy-phenyl)-hexane-1,6-dione
2,5-Bis{[(2-methyl-2-propanyl)amino]methyl}-1,6-bis(4-propoxyphenyl)-1,6-hexandion [German] [ACD/IUPAC Name]
2,5-Bis{[(2-methyl-2-propanyl)amino]methyl}-1,6-bis(4-propoxyphenyl)-1,6-hexanedione [ACD/IUPAC Name]
2,5-Bis{[(2-méthyl-2-propanyl)amino]méthyl}-1,6-bis(4-propoxyphényl)-1,6-hexanedione [French] [ACD/IUPAC Name]
2,5-bis[(tert-butylamino)methyl]-1,6-bis(4-propoxyphenyl)hexane-1,6-dione
371234-28-5 [RN]

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

BAS 01095645 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 656.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.7±3.0 kJ/mol
    Flash Point: 351.1±31.5 °C
    Index of Refraction: 1.519
    Molar Refractivity: 165.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 19
    #Rule of 5 Violations: 2
    ACD/LogP: 7.42
    ACD/LogD (pH 5.5): 2.54
    ACD/BCF (pH 5.5): 5.18
    ACD/KOC (pH 5.5): 7.73
    ACD/LogD (pH 7.4): 3.04
    ACD/BCF (pH 7.4): 16.61
    ACD/KOC (pH 7.4): 24.78
    Polar Surface Area: 77 Å2
    Polarizability: 65.4±0.5 10-24cm3
    Surface Tension: 37.2±3.0 dyne/cm
    Molar Volume: 544.0±3.0 cm3

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