ChemSpider 2D Image | 1-(1,4-Diazepan-1-yl)-1-octanone | C13H26N2O

1-(1,4-Diazepan-1-yl)-1-octanone

  • Molecular FormulaC13H26N2O
  • Average mass226.358 Da
  • Monoisotopic mass226.204514 Da
  • ChemSpider ID24319370

More details:

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

1-(1,4-Diazepan-1-yl)-1-octanon [German] [ACD/IUPAC Name]
1-(1,4-Diazepan-1-yl)-1-octanone [ACD/IUPAC Name]
1-(1,4-Diazépan-1-yl)-1-octanone [French] [ACD/IUPAC Name]
1-(Hexahydro-1H-1,4-diazepin-1-yl)-1-octanone
1-Octanone, 1-(hexahydro-1H-1,4-diazepin-1-yl)- [ACD/Index Name]
61903-17-1 [RN]
1-(1,4-diazepan-1-yl)octan-1-one
1826270-18-1 [RN]
1-octanoyl-1,4-diazepane
atoms 16 bonds 16
More...

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 362.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.8±3.0 kJ/mol
    Flash Point: 173.0±25.9 °C
    Index of Refraction: 1.467
    Molar Refractivity: 67.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.80
    ACD/LogD (pH 5.5): -0.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 1.22
    ACD/KOC (pH 7.4): 11.28
    Polar Surface Area: 32 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 33.4±3.0 dyne/cm
    Molar Volume: 241.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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