ChemSpider 2D Image | 1-(2-Heptanyl)-1,4-diazepane | C12H26N2

1-(2-Heptanyl)-1,4-diazepane

  • Molecular FormulaC12H26N2
  • Average mass198.348 Da
  • Monoisotopic mass198.209595 Da
  • ChemSpider ID29809266

More details:

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

1-(2-Heptanyl)-1,4-diazepan [German] [ACD/IUPAC Name]
1-(2-Heptanyl)-1,4-diazepane [ACD/IUPAC Name]
1-(2-Heptanyl)-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, hexahydro-1-(1-methylhexyl)- [ACD/Index Name]
1-(heptan-2-yl)-1,4-diazepane
1240575-03-4 [RN]
1-heptan-2-yl-1,4-diazepane
atoms 14 bonds 14
MFCD14690031

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 261.9±8.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.0±3.0 kJ/mol
    Flash Point: 78.7±9.4 °C
    Index of Refraction: 1.456
    Molar Refractivity: 62.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.21
    ACD/LogD (pH 5.5): -0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 15 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 29.3±3.0 dyne/cm
    Molar Volume: 229.4±3.0 cm3

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