ChemSpider 2D Image | tert-Butyl 3-hydroxy-4,5,6,8-tetrahydropyrazolo[3,4-c]azepine-7(1H)-carboxylate | C12H19N3O3

tert-Butyl 3-hydroxy-4,5,6,8-tetrahydropyrazolo[3,4-c]azepine-7(1H)-carboxylate

  • Molecular FormulaC12H19N3O3
  • Average mass253.298 Da
  • Monoisotopic mass253.142639 Da
  • ChemSpider ID48064208

More details:

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

1445951-64-3 [RN]
2-Methyl-2-propanyl 3-hydroxy-4,5,6,8-tetrahydropyrazolo[3,4-c]azepine-7(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-hydroxy-4,5,6,8-tetrahydropyrazolo[3,4-c]azepin-7(1H)-carboxylat [German] [ACD/IUPAC Name]
3-Hydroxy-4,5,6,8-tétrahydropyrazolo[3,4-c]azépine-7(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Pyrazolo[3,4-c]azepine-7(1H)-carboxylic acid, 4,5,6,8-tetrahydro-3-hydroxy-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 3-hydroxy-4,5,6,8-tetrahydropyrazolo[3,4-c]azepine-7(1H)-carboxylate
MFCD25509332
N1=C(C2=C(N1)CN(C(=O)OC(C)(C)C)CCC2)O
t-Butyl 3-hydroxy-4,5,6,8-tetrahydropyrazolo[3,4-c]azepine-7(1H)-carboxylate
tert-butyl 3-hydroxy-1H,4H,5H,6H,7H,8H-pyrazolo[3,4-c]azepine-7-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 450.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.6±3.0 kJ/mol
    Flash Point: 226.1±28.7 °C
    Index of Refraction: 1.565
    Molar Refractivity: 65.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.48
    ACD/LogD (pH 5.5): 1.59
    ACD/BCF (pH 5.5): 9.48
    ACD/KOC (pH 5.5): 173.50
    ACD/LogD (pH 7.4): 1.59
    ACD/BCF (pH 7.4): 9.45
    ACD/KOC (pH 7.4): 172.86
    Polar Surface Area: 78 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 56.0±3.0 dyne/cm
    Molar Volume: 202.2±3.0 cm3

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