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Search term: FTUPYMBDPZBKRS-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-(1-Octyn-1-yl)-8-phenyl-9-(2-propyn-1-yl)-9H-purin-6-amine | C22H23N5

2-(1-Octyn-1-yl)-8-phenyl-9-(2-propyn-1-yl)-9H-purin-6-amine

  • Molecular FormulaC22H23N5
  • Average mass357.452 Da
  • Monoisotopic mass357.195343 Da
  • ChemSpider ID34219969

More details:

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

2-(1-Octin-1-yl)-8-phenyl-9-(2-propin-1-yl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
2-(1-Octyn-1-yl)-8-phenyl-9-(2-propyn-1-yl)-9H-purin-6-amine [ACD/IUPAC Name]
2-(1-Octyn-1-yl)-8-phényl-9-(2-propyn-1-yl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 2-(1-octyn-1-yl)-8-phenyl-9-(2-propyn-1-yl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 595.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.1±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 111.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5138.86
ACD/KOC (pH 5.5): 15767.37
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5141.79
ACD/KOC (pH 7.4): 15776.37
Polar Surface Area: 70 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 321.0±7.0 cm3

Click to predict properties on the Chemicalize site


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