ChemSpider 2D Image | 6-Chloro-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline | C16H20ClN3

6-Chloro-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline

  • Molecular FormulaC16H20ClN3
  • Average mass289.803 Da
  • Monoisotopic mass289.134583 Da
  • ChemSpider ID22493793

More details:






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

6-Chlor-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)chinolin [German] [ACD/IUPAC Name]
6-Chloro-4-méthyl-2-(4-méthyl-1,4-diazépan-1-yl)quinoléine [French] [ACD/IUPAC Name]
6-Chloro-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline [ACD/IUPAC Name]
Quinoline, 6-chloro-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-4-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 451.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.0±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.63
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 42.26
ACD/KOC (pH 7.4): 259.88
Polar Surface Area: 19 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 246.1±3.0 cm3

Click to predict properties on the Chemicalize site






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