ChemSpider 2D Image | 6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)-N-(3,4-dichlorophenyl)-2-methyl-4-pyrimidinamine | C28H29Cl2N5

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

  • Molecular FormulaC28H29Cl2N5
  • Average mass506.469 Da
  • Monoisotopic mass505.179993 Da
  • ChemSpider ID121599671

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-(3,4-dichlorophenyl)-2-methyl- [ACD/Index Name]
6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-N-(3,4-dichlorophenyl)-2-methyl-4-pyrimidinamine [ACD/IUPAC Name]
6-(1-Cyclohexyl-1,3,4,9-tétrahydro-2H-β-carbolin-2-yl)-N-(3,4-dichlorophényl)-2-méthyl-4-pyrimidinamine [French] [ACD/IUPAC Name]
6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-N-(3,4-dichlorphenyl)-2-methyl-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: 696.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.1±31.5 °C
Index of Refraction: 1.694
Molar Refractivity: 144.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 24120.47
ACD/KOC (pH 5.5): 21779.81
ACD/LogD (pH 7.4): 7.57
ACD/BCF (pH 7.4): 318333.59
ACD/KOC (pH 7.4): 287442.47
Polar Surface Area: 57 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 376.7±3.0 cm3

Click to predict properties on the Chemicalize site


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