ChemSpider 2D Image | 6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)-2-ethyl-N-[4-(4-methyl-1-piperazinyl)phenyl]-4-pyrimidinamine | C34H43N7

6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-2-ethyl-N-[4-(4-methyl-1-piperazinyl)phenyl]-4-pyrimidinamine

  • Molecular FormulaC34H43N7
  • Average mass549.752 Da
  • Monoisotopic mass549.357971 Da
  • ChemSpider ID121439174

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)-2-ethyl-N-[4-(4-methyl-1-piperazinyl)phenyl]- [ACD/Index Name]
6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-2-ethyl-N-[4-(4-methyl-1-piperazinyl)phenyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-(1-Cyclohexyl-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)-2-ethyl-N-[4-(4-methyl-1-piperazinyl)phenyl]-4-pyrimidinamine [ACD/IUPAC Name]
6-(1-Cyclohexyl-1,3,4,9-tétrahydro-2H-β-carbolin-2-yl)-2-éthyl-N-[4-(4-méthyl-1-pipérazinyl)phényl]-4-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.8±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 168.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 36.95
ACD/KOC (pH 5.5): 63.55
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 13143.76
ACD/KOC (pH 7.4): 22608.58
Polar Surface Area: 63 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 452.7±3.0 cm3

Click to predict properties on the Chemicalize site


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