ChemSpider 2D Image | 3-[(Benzyloxy)methyl]-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C17H21N5O

3-[(Benzyloxy)methyl]-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC17H21N5O
  • Average mass311.382 Da
  • Monoisotopic mass311.174622 Da
  • ChemSpider ID24598059

More details:

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

1151649-92-1 [RN]
1H-pyrazolo[3,4-d]pyrimidin-4-amine, 1-(1,1-dimethylethyl)-3-[(phenylmethoxy)methyl]-
3-((benzyloxy)methyl)-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
3-[(Benzyloxy)methyl]-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
3-(benzyloxymethyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
MFCD11109907

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

Density: 1.2±0.1 g/cm3
Boiling Point: 483.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 245.9±27.3 °C
Index of Refraction: 1.631
Molar Refractivity: 89.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 74.16
ACD/KOC (pH 5.5): 734.16
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.25
ACD/KOC (pH 7.4): 824.19
Polar Surface Area: 79 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 251.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement