ChemSpider 2D Image | 3-(7-Ethoxy-2-naphthyl)-1-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C21H23N5O

3-(7-Ethoxy-2-naphthyl)-1-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC21H23N5O
  • Average mass361.440 Da
  • Monoisotopic mass361.190247 Da
  • ChemSpider ID35034489

More details:






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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(7-ethoxy-2-naphthalenyl)-1-(2-methylpropyl)- [ACD/Index Name]
3-(7-Ethoxy-2-naphthyl)-1-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-(7-Ethoxy-2-naphthyl)-1-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-(7-Éthoxy-2-naphtyl)-1-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
3-(7-Ethoxynaphthalen-2-Yl)-1-(2-Methylpropyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
UWA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.2±28.7 °C
Index of Refraction: 1.667
Molar Refractivity: 105.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 824.17
ACD/KOC (pH 5.5): 4191.00
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 868.63
ACD/KOC (pH 7.4): 4417.05
Polar Surface Area: 79 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 282.1±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement