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Search term: DGMRQLBJLSKFDK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-Benzyl-7-methyl-1,4-diazepan-5-one | C13H18N2O

1-Benzyl-7-methyl-1,4-diazepan-5-one

  • Molecular FormulaC13H18N2O
  • Average mass218.295 Da
  • Monoisotopic mass218.141907 Da
  • ChemSpider ID57392808

More details:

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

1260424-02-9 [RN]
1-Benzyl-7-methyl-1,4-diazepan-5-on [German] [ACD/IUPAC Name]
1-Benzyl-7-methyl-1,4-diazepan-5-one [ACD/IUPAC Name]
1-Benzyl-7-méthyl-1,4-diazépan-5-one [French] [ACD/IUPAC Name]
5H-1,4-Diazepin-5-one, hexahydro-7-methyl-1-(phenylmethyl)- [ACD/Index Name]
MFCD29921972

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 382.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±3.0 kJ/mol
    Flash Point: 185.2±25.9 °C
    Index of Refraction: 1.533
    Molar Refractivity: 64.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.59
    ACD/LogD (pH 5.5): -1.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.60
    ACD/BCF (pH 7.4): 1.37
    ACD/KOC (pH 7.4): 33.77
    Polar Surface Area: 32 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 38.2±3.0 dyne/cm
    Molar Volume: 206.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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