ChemSpider 2D Image | 2-Fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-9H-purin-6-amine | C19H22FIN6O2

2-Fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-9H-purin-6-amine

  • Molecular FormulaC19H22FIN6O2
  • Average mass512.320 Da
  • Monoisotopic mass512.083313 Da
  • ChemSpider ID9737336

More details:

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

2-Fluor-8-[(6-iod-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
2-Fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-9H-purin-6-amine [ACD/IUPAC Name]
2-Fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)méthyl]-9-[3-(isopropylamino)propyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purine-9-propanamine, 6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-N-(1-methylethyl)- [ACD/Index Name]
2-Fluoro-8-((6-iodobenzo[d][1,3]dioxol-5-yl)methyl)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine
2-fluoro-8-[(6-iodo-1,3-dioxaindan-5-yl)methyl]-9-{3-[(propan-2-yl)amino]propyl}-9H-purin-6-amine
873437-04-8 [RN]
CHEMBL200001
MFCD18251590
PU-DZ 8

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

NChemBio.2007.10-comp32 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 699.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.9±34.3 °C
Index of Refraction: 1.732
Molar Refractivity: 112.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.52
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.50
Polar Surface Area: 100 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 282.4±7.0 cm3

Click to predict properties on the Chemicalize site


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