ChemSpider 2D Image | 6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)-N-(3,5-dichlorophenyl)-2-propyl-4-pyrimidinamine | C30H33Cl2N5

6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-N-(3,5-dichlorophenyl)-2-propyl-4-pyrimidinamine

  • Molecular FormulaC30H33Cl2N5
  • Average mass534.523 Da
  • Monoisotopic mass533.211304 Da
  • ChemSpider ID121529585

More details:

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

4-Pyrimidinamine, 6-(1-cyclohexyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-N-(3,5-dichlorophenyl)-2-propyl- [ACD/Index Name]
6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-N-(3,5-dichlorophenyl)-2-propyl-4-pyrimidinamine [ACD/IUPAC Name]
6-(1-Cyclohexyl-1,3,4,9-tétrahydro-2H-β-carbolin-2-yl)-N-(3,5-dichlorophényl)-2-propyl-4-pyrimidinamine [French] [ACD/IUPAC Name]
6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-N-(3,5-dichlorphenyl)-2-propyl-4-pyrimidinamin [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 705.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.7±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 154.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.05
ACD/LogD (pH 5.5): 7.44
ACD/BCF (pH 5.5): 135626.55
ACD/KOC (pH 5.5): 74070.39
ACD/LogD (pH 7.4): 8.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1011797.44
Polar Surface Area: 57 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 409.8±3.0 cm3

Click to predict properties on the Chemicalize site


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