ChemSpider 2D Image | 6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxylic acid | C7H10N4O2

6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxylic acid

  • Molecular FormulaC7H10N4O2
  • Average mass182.180 Da
  • Monoisotopic mass182.080383 Da
  • ChemSpider ID22336879

More details:

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

5H-Tetrazolo[1,5-a]azepine-9-carboxylic acid, 6,7,8,9-tetrahydro- [ACD/Index Name]
6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepin-9-carbonsäure [German] [ACD/IUPAC Name]
6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxylic acid [ACD/IUPAC Name]
Acide 6,7,8,9-tétrahydro-5H-tétrazolo[1,5-a]azépine-9-carboxylique [French] [ACD/IUPAC Name]
5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[1,5-a]azepine-9-carboxylic acid
5H,6H,7H,8H,9H-1,2,3,4-tetraazolo[1,5-a]azaperhydroepine-9-carboxylic acid
6,7,8,9-Tetrahydro-5H-tetraazolo[1,5-a]azepine-9-carboxylic acid
860225-11-2 [RN]
MFCD09743353 [MDL number]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 497.0±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.6±3.0 kJ/mol
    Flash Point: 254.4±24.0 °C
    Index of Refraction: 1.765
    Molar Refractivity: 44.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.79
    ACD/LogD (pH 5.5): -2.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.81
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 81 Å2
    Polarizability: 17.7±0.5 10-24cm3
    Surface Tension: 77.7±7.0 dyne/cm
    Molar Volume: 107.7±7.0 cm3

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