ChemSpider 2D Image | 2K038J69PK | C22H19D8ClN2

2K038J69PK

  • Molecular FormulaC22H19D8ClN2
  • Average mass362.966 Da
  • Monoisotopic mass362.236481 Da
  • ChemSpider ID52085147

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1416227-06-9 [RN]
2K038J69PK
4-[(1R,3S)-6-Chlor-3-(2H5)phenyl-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-1-(2H3)methylpiperazin [German] [ACD/IUPAC Name]
4-[(1R,3S)-6-Chloro-3-(2H5)phenyl-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-1-(2H3)methylpiperazine [ACD/IUPAC Name]
4-[(1R,3S)-6-Chloro-3-(2H5)phényl-2,3-dihydro-1H-indén-1-yl]-2,2-diméthyl-1-(2H3)méthylpipérazine [French] [ACD/IUPAC Name]
Piperazine, 4-[(1R,3S)-6-chloro-2,3-dihydro-3-(phenyl-d5)-1H-inden-1-yl]-2,2-dimethyl-1-(methyl-d3)- [ACD/Index Name]
UNII:2K038J69PK
ZICRONAPINE-D8

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

Density: 1.1±0.1 g/cm3
Boiling Point: 443.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 222.2±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 5.41
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 20.43
ACD/KOC (pH 7.4): 96.52
Polar Surface Area: 6 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 315.3±3.0 cm3

Click to predict properties on the Chemicalize site


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