ChemSpider 2D Image | (4Z)-4-(4-Isopropylbenzylidene)-2-(2-methyl-2-butanyl)-1,2,3,4-tetrahydro-9-acridinecarboxylic acid | C29H33NO2

(4Z)-4-(4-Isopropylbenzylidene)-2-(2-methyl-2-butanyl)-1,2,3,4-tetrahydro-9-acridinecarboxylic acid

  • Molecular FormulaC29H33NO2
  • Average mass427.578 Da
  • Monoisotopic mass427.251129 Da
  • ChemSpider ID30554635

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-4-(4-Isopropylbenzyliden)-2-(2-methyl-2-butanyl)-1,2,3,4-tetrahydro-9-acridincarbonsäure [German] [ACD/IUPAC Name]
(4Z)-4-(4-Isopropylbenzylidene)-2-(2-methyl-2-butanyl)-1,2,3,4-tetrahydro-9-acridinecarboxylic acid [ACD/IUPAC Name]
9-Acridinecarboxylic acid, 2-(1,1-dimethylpropyl)-1,2,3,4-tetrahydro-4-[[4-(1-methylethyl)phenyl]methylene]-, (4Z)- [ACD/Index Name]
Acide (4Z)-4-(4-isopropylbenzylidène)-2-(2-méthyl-2-butanyl)-1,2,3,4-tétrahydro-9-acridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 577.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 302.9±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.40
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 5818.40
ACD/KOC (pH 5.5): 3311.45
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 1445.96
ACD/KOC (pH 7.4): 822.94
Polar Surface Area: 50 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 376.7±3.0 cm3

Click to predict properties on the Chemicalize site


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