ChemSpider 2D Image | UNII:P9Q36P2V0J | C34H34ClN3O3

UNII:P9Q36P2V0J

  • Molecular FormulaC34H34ClN3O3
  • Average mass568.105 Da
  • Monoisotopic mass567.228882 Da
  • ChemSpider ID8007751

More details:

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

1,2-Ethanediamine, N1-(4'a,7'a-dihydro-6',7'a-diphenylspiro[cyclohexane-1,3'-[7H]cyclopenta[e][1,2,4]trioxin]-4-yl)-N2-(7-chloro-4-quinolinyl)- [ACD/Index Name]
N-(7-Chloro-4-quinolinyl)-N'-(6',7a'-diphenyl-7',7a'-dihydro-4a'H-spiro[cyclohexane-1,3'-cyclopenta[e][1,2,4]trioxin]-4-yl)-1,2-ethanediamine [ACD/IUPAC Name]
UNII:P9Q36P2V0J
324761-13-9 [RN]
ODC-188

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 391.2±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 20.85
ACD/KOC (pH 5.5): 29.44
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 2332.51
ACD/KOC (pH 7.4): 3294.45
Polar Surface Area: 65 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 428.9±5.0 cm3

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