ChemSpider 2D Image | 5H-Pyrrolo[1,2-a][1,4]diazepine | C8H8N2

5H-Pyrrolo[1,2-a][1,4]diazepine

  • Molecular FormulaC8H8N2
  • Average mass132.163 Da
  • Monoisotopic mass132.068741 Da
  • ChemSpider ID24195263

More details:

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

5H-Pyrrolo[1,2-a][1,4]diazepin [German] [ACD/IUPAC Name]
5H-Pyrrolo[1,2-a][1,4]diazepine [ACD/Index Name] [ACD/IUPAC Name]
5H-Pyrrolo[1,2-a][1,4]diazépine [French] [ACD/IUPAC Name]
38895-71-5 [RN]
5H-Pyrrolo[1,2-a][1,4]diazepine (9CI)
MFCD18821696
pyrrolo[1,2-a][1,4]diazepine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 271.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.9±3.0 kJ/mol
Flash Point: 118.0±25.1 °C
Index of Refraction: 1.607
Molar Refractivity: 41.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 5.86
ACD/KOC (pH 5.5): 100.75
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.83
ACD/KOC (pH 7.4): 203.25
Polar Surface Area: 17 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 119.6±7.0 cm3

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