ChemSpider 2D Image | 1-(3,4-Dichlorophenyl)-2-(3-methylbutyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine | C19H24Cl2N2

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

  • Molecular FormulaC19H24Cl2N2
  • Average mass351.313 Da
  • Monoisotopic mass350.131653 Da
  • ChemSpider ID22662436

More details:

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

1-(3,4-Dichlorophenyl)-2-(3-methylbutyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine [ACD/IUPAC Name]
1-(3,4-Dichlorophényl)-2-(3-méthylbutyl)-2,3,4,5-tétrahydro-1H-pyrrolo[1,2-a][1,4]diazépine [French] [ACD/IUPAC Name]
1-(3,4-Dichlorphenyl)-2-(3-methylbutyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin [German] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-a][1,4]diazepine, 1-(3,4-dichlorophenyl)-2,3,4,5-tetrahydro-2-(3-methylbutyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 438.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.2±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 99.2±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 21.10
ACD/KOC (pH 5.5): 56.12
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1013.07
ACD/KOC (pH 7.4): 2694.08
Polar Surface Area: 8 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 291.4±7.0 cm3

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