ChemSpider 2D Image | unc569 | C22H29FN6

unc569

  • Molecular FormulaC22H29FN6
  • Average mass396.504 Da
  • Monoisotopic mass396.243774 Da
  • ChemSpider ID28507130

  • 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-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine [ACD/IUPAC Name]
1-[(trans-4-Aminocyclohexyl)méthyl]-N-butyl-3-(4-fluorophényl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine [French] [ACD/IUPAC Name]
1-[(trans-4-Aminocyclohexyl)methyl]-N-butyl-3-(4-fluorphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amin [German] [ACD/IUPAC Name]
1350547-65-7 [RN]
1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)- [ACD/Index Name]
unc569
1-((trans-4-aminocyclohexyl)methyl)-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CKJ
UNC 569

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

PubChem Substance ID 329825761 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.4±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.2±32.3 °C
Index of Refraction: 1.663
Molar Refractivity: 111.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.69
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 7.95
Polar Surface Area: 82 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 300.9±7.0 cm3

Click to predict properties on the Chemicalize site


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