ChemSpider 2D Image | (8aS)-1-(Dichloroacetyl)-3,3,8a-trimethylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one | C12H18Cl2N2O2

(8aS)-1-(Dichloroacetyl)-3,3,8a-trimethylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one

  • Molecular FormulaC12H18Cl2N2O2
  • Average mass293.190 Da
  • Monoisotopic mass292.074524 Da
  • ChemSpider ID34993235

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8aS)-1-(2,2-Dichloroacétyl)-3,3,8a-triméthylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one [French] [ACD/IUPAC Name]
(8aS)-1-(Dichloracetyl)-3,3,8a-trimethylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-on [German] [ACD/IUPAC Name]
(8aS)-1-(Dichloroacetyl)-3,3,8a-trimethylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrimidin-6(2H)-one, 1-(2,2-dichloroacetyl)hexahydro-3,3,8a-trimethyl-, (8aS)- [ACD/Index Name]
279-121-8 [EINECS]
79260-71-2 [RN]
dicyclonon
UNII-QJ7F09L4WP

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

Density: 1.3±0.1 g/cm3
Boiling Point: 410.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 202.2±28.7 °C
Index of Refraction: 1.558
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.51
ACD/KOC (pH 5.5): 118.10
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.51
ACD/KOC (pH 7.4): 118.10
Polar Surface Area: 41 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 220.9±5.0 cm3

Click to predict properties on the Chemicalize site


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