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Search term: FAOUZNFWHWLTIC-YOCNBXQISA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[(trans-4-Aminocyclohexyl)methyl]-N-(3-phenylpropyl)-3-[4-(1-piperazinyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | C31H40N8

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

  • Molecular FormulaC31H40N8
  • Average mass524.703 Da
  • Monoisotopic mass524.337585 Da
  • ChemSpider ID28507129

  • 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-(3-phenylpropyl)-3-[4-(1-piperazinyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amin [German] [ACD/IUPAC Name]
1-[(trans-4-Aminocyclohexyl)methyl]-N-(3-phenylpropyl)-3-[4-(1-piperazinyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine [ACD/IUPAC Name]
1-[(trans-4-Aminocyclohexyl)méthyl]-N-(3-phénylpropyl)-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-(3-phenylpropyl)-3-[4-(1-piperazinyl)phenyl]- [ACD/Index 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: 759.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 412.9±35.7 °C
Index of Refraction: 1.700
Molar Refractivity: 155.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 401.7±7.0 cm3

Click to predict properties on the Chemicalize site


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