ChemSpider 2D Image | 3,4,5,6-Tetrahydro-2H-[1,3,6]oxadiazocino[3,2-a]benzimidazole | C11H13N3O

3,4,5,6-Tetrahydro-2H-[1,3,6]oxadiazocino[3,2-a]benzimidazole

  • Molecular FormulaC11H13N3O
  • Average mass203.240 Da
  • Monoisotopic mass203.105865 Da
  • ChemSpider ID59759438

More details:






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

2007915-66-2 [RN]
2H-[1,3,6]Oxadiazocino[3,2-a]benzimidazole, 3,4,5,6-tetrahydro- [ACD/Index Name]
3,4,5,6-Tetrahydro-2H-[1,3,6]oxadiazocino[3,2-a]benzimidazol [German] [ACD/IUPAC Name]
3,4,5,6-Tetrahydro-2H-[1,3,6]oxadiazocino[3,2-a]benzimidazole [ACD/IUPAC Name]
3,4,5,6-Tétrahydro-2H-[1,3,6]oxadiazocino[3,2-a]benzimidazole [French] [ACD/IUPAC Name]
3,4,5,6-Tetrahydro-2H-benzo[4,5]imidazo[2,1-b][1,3,6]oxadiazocine
C11H13N3O
MFCD30471852

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 385.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 186.7±30.7 °C
Index of Refraction: 1.681
Molar Refractivity: 57.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.12
Polar Surface Area: 39 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 150.8±7.0 cm3

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