ChemSpider 2D Image | 3-(3-Methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane | C17H25N3O3

3-(3-Methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane

  • Molecular FormulaC17H25N3O3
  • Average mass319.399 Da
  • Monoisotopic mass319.189606 Da
  • ChemSpider ID58178770

More details:

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

1854943-73-9 [RN]
3-(3-Methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecan [German] [ACD/IUPAC Name]
3-(3-Methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane [ACD/IUPAC Name]
3-(3-Méthoxy-4-nitrophényl)-9-méthyl-3,9-diazaspiro[5.5]undécane [French] [ACD/IUPAC Name]
3,9-Diazaspiro[5.5]undecane, 3-(3-methoxy-4-nitrophenyl)-9-methyl- [ACD/Index Name]
COC1=CC(=CC=C1[N+]([O-])=O)N1CCC2(CCN(C)CC2)CC1
MFCD30471623

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 483.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.8±3.0 kJ/mol
    Flash Point: 246.2±28.7 °C
    Index of Refraction: 1.592
    Molar Refractivity: 89.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.21
    ACD/LogD (pH 5.5): 0.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.42
    ACD/LogD (pH 7.4): 0.85
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.59
    Polar Surface Area: 62 Å2
    Polarizability: 35.3±0.5 10-24cm3
    Surface Tension: 52.9±5.0 dyne/cm
    Molar Volume: 263.3±5.0 cm3

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