ChemSpider 2D Image | 2-(2-Chlorobenzyl)-1-(2,5-dimethylphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine | C23H25ClN2

2-(2-Chlorobenzyl)-1-(2,5-dimethylphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine

  • Molecular FormulaC23H25ClN2
  • Average mass364.911 Da
  • Monoisotopic mass364.170624 Da
  • ChemSpider ID22650901

More details:

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

1H-Pyrrolo[1,2-a][1,4]diazepine, 2-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)-2,3,4,5-tetrahydro- [ACD/Index Name]
2-(2-Chlorbenzyl)-1-(2,5-dimethylphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin [German] [ACD/IUPAC Name]
2-(2-Chlorobenzyl)-1-(2,5-dimethylphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine [ACD/IUPAC Name]
2-(2-Chlorobenzyl)-1-(2,5-diméthylphényl)-2,3,4,5-tétrahydro-1H-pyrrolo[1,2-a][1,4]diazépine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 486.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 248.1±27.3 °C
Index of Refraction: 1.612
Molar Refractivity: 110.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 68.92
ACD/KOC (pH 5.5): 180.56
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 3192.23
ACD/KOC (pH 7.4): 8363.42
Polar Surface Area: 8 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 317.8±7.0 cm3

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