ChemSpider 2D Image | 4,4'-(1,4-Diazepane-1,4-diyl)bis(1-methyl-1H-pyrazolo[3,4-d]pyrimidine) | C17H20N10

4,4'-(1,4-Diazepane-1,4-diyl)bis(1-methyl-1H-pyrazolo[3,4-d]pyrimidine)

  • Molecular FormulaC17H20N10
  • Average mass364.408 Da
  • Monoisotopic mass364.187256 Da
  • ChemSpider ID33647998

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine, 4,4'-(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)bis[1-methyl- [ACD/Index Name]
4,4'-(1,4-Diazepan-1,4-diyl)bis(1-methyl-1H-pyrazolo[3,4-d]pyrimidin) [German] [ACD/IUPAC Name]
4,4'-(1,4-Diazepane-1,4-diyl)bis(1-methyl-1H-pyrazolo[3,4-d]pyrimidine) [ACD/IUPAC Name]
4,4'-(1,4-Diazépane-1,4-diyl)bis(1-méthyl-1H-pyrazolo[3,4-d]pyrimidine) [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 617.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.4±31.5 °C
Index of Refraction: 1.824
Molar Refractivity: 101.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.60
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 44.30
Polar Surface Area: 94 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 233.3±7.0 cm3

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