Molecular Formula: 166.14
Formula Weight: C6H6N4O2
Inchl Key: PFWLFWPASULGAN-UHFFFAOYSA-N
Inchl: InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	300ºC
CAS:	552-62-5
MF:	C6H6N4O2
Flash_Point:	N/A
Product_Name:	7-Methylxanthine
Density:	1.8±0.1 g/cm3
FW:	166.137
Bolling_Point:	N/A

Refractive_Index:	1.827
LogP:	-0.89
FW:	166.137
PSA:	83.54000
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :9 ', '6. TPSA 76 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :242 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	300ºC
MF:	C6H6N4O2
Exact_Mass:	166.049072
Molecular_Structure:	['1 . Molar refractive index 3973 ', '2 . Molar volume （m3/mol）906 ', '3 . Parachor （902K）2736 ', '4 . Surface tension 828 ', '5 . Polarizability 1575']
Density:	1.8±0.1 g/cm3
More_Info:	['1 . Appearance ', '2 . Density（g/mL,25/4℃） ', '3 . Relative vapor density（g/mL,Atmosphere =1） ', '4 . Melting point（ºC）> 300°C ', '5 . Boiling point（ºC,Atmospheric pressure） ', '6 . Boiling point（ºC,52kPa） ', '7 . Refractive index ', '8 . Flash point（ºC） ', '9 . Specific rotation（ºC） ', '10 . Spontaneous ignition point or ignition temperature（ºC） ', '11 . Vapor pressure（kPa,25ºC） ', '12 . Saturated vapor pressure（kPa,60ºC） ', '13 . Combustion heat（KJ/mol） ', '14 . Critical temperature（ºC） ', '15 . Critical pressure（KPa） ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient ', '17 . Upper limit of explosion（%,V/V） ', '18 . Lower limit of explosion（%,V/V） ', '19 . Solubility ']