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ChemSpider 2D Image | 1-[(trans-4-Aminocyclohexyl)methyl]-N-butyl-3-[4-(1-piperazinyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | C26H38N8

1-[(trans-4-Aminocyclohexyl)methyl]-N-butyl-3-[4-(1-piperazinyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine

  • Molecular FormulaC26H38N8
  • Average mass462.634 Da
  • Monoisotopic mass462.321930 Da
  • ChemSpider ID28519256
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1-[(trans-4-Aminocyclohexyl)methyl]-N-butyl-3-[4-(1-piperazinyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amin [German] [ACD/IUPAC Name]
1-[(trans-4-Aminocyclohexyl)methyl]-N-butyl-3-[4-(1-piperazinyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine [ACD/IUPAC Name]
1-[(trans-4-Aminocyclohexyl)méthyl]-N-butyl-3-[4-(1-pipérazinyl)phényl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-[4-(1-piperazinyl)phenyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 690.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.5±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 349.2±7.0 cm3

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