ChemSpider 2D Image | (2aS,8bS)-2-(2,4-Dichlorophenyl)-6-(4-heptanyl)-4-methyl-2a,7,8,8b-tetrahydro-6H-1,3,6,8a-tetraazaacenaphthylene | C22H28Cl2N4

(2aS,8bS)-2-(2,4-Dichlorophenyl)-6-(4-heptanyl)-4-methyl-2a,7,8,8b-tetrahydro-6H-1,3,6,8a-tetraazaacenaphthylene

  • Molecular FormulaC22H28Cl2N4
  • Average mass419.391 Da
  • Monoisotopic mass418.169098 Da
  • ChemSpider ID57642122

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2aS,8bS)-2-(2,4-Dichlorophenyl)-6-(4-heptanyl)-4-methyl-2a,7,8,8b-tetrahydro-6H-1,3,6,8a-tetraazaacenaphthylene [ACD/IUPAC Name]
(2aS,8bS)-2-(2,4-Dichlorophényl)-6-(4-heptanyl)-4-méthyl-2a,7,8,8b-tétrahydro-6H-1,3,6,8a-tétraazaacénaphtylène [French] [ACD/IUPAC Name]
(2aS,8bS)-2-(2,4-Dichlorphenyl)-6-(4-heptanyl)-4-methyl-2a,7,8,8b-tetrahydro-6H-1,3,6,8a-tetraazaacenaphthylen [German] [ACD/IUPAC Name]
6H-1,3,6,8a-Tetraazaacenaphthylene, 2-(2,4-dichlorophenyl)-2a,7,8,8b-tetrahydro-4-methyl-6-(1-propylbutyl)-, (2aS,8bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.4±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 77.78
ACD/KOC (pH 5.5): 212.53
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 115.04
ACD/KOC (pH 7.4): 314.35
Polar Surface Area: 31 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 319.5±7.0 cm3

Click to predict properties on the Chemicalize site


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