ChemSpider 2D Image | 4-chloro-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0²,?]dodeca-2(6),7-dien-10-yl}pyridine-3-carbaldehyde | C18H18ClN3O2

4-chloro-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0²,?]dodeca-2(6),7-dien-10-yl}pyridine-3-carbaldehyde

  • Molecular FormulaC18H18ClN3O2
  • Average mass343.807 Da
  • Monoisotopic mass343.108765 Da
  • ChemSpider ID31263490

More details:






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

1434050-55-1 [RN]
3-Pyridinecarboxaldehyde, 4-chloro-2-(1,3,4,6,7,8-hexahydro-7,7-dimethyl-1-oxo-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)- [ACD/Index Name]
4-Chlor-2-(7,7-dimethyl-1-oxo-1,3,4,6,7,8-hexahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)nicotinaldehyd [German] [ACD/IUPAC Name]
4-Chloro-2-(7,7-dimethyl-1-oxo-1,3,4,6,7,8-hexahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)nicotinaldehyde [ACD/IUPAC Name]
4-Chloro-2-(7,7-diméthyl-1-oxo-1,3,4,6,7,8-hexahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)nicotinaldéhyde [French] [ACD/IUPAC Name]
4-chloro-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0²,?]dodeca-2(6),7-dien-10-yl}pyridine-3-carbaldehyde
2-(9-oxo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.0(2,6)]dodeca-2(6),7-dien-10-yl)-4-chloropyridine-3-carbaldehyde
4-chloro-2-(2,2-dimethyl-7-oxo-1,2,3,4,5,7-hexahydro-3b,6-diaza-cyclopenta[a]inden-6-yl)pyridine-3-carbaldehyde
4-Chloro-2-(7,7-diMethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)n
4-Chloro-2-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)nicotinaldehyde
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 571.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.3±30.1 °C
Index of Refraction: 1.692
Molar Refractivity: 92.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 462.15
ACD/KOC (pH 5.5): 2812.10
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 462.23
ACD/KOC (pH 7.4): 2812.62
Polar Surface Area: 55 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 242.1±7.0 cm3

Click to predict properties on the Chemicalize site






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