2,6-Dihydroxy-3-methylpurine


Catalog No:   FT-0616197

CAS No:   1076-22-8

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

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Symbol: GHS07
CAS: 1076-22-8
Flash_Point: 148.8ºC
Product_Name: 3-methylxanthine
Bolling_Point: 322.4ºC at 760 mmHg
FW: 166.137
Melting_Point: >300 °C(lit.)
MF: C6H6N4O2
Density: 1.5±0.1 g/cm3
Refractive_Index: 1.627
Vapor_Pressure: 2.23E-05mmHg at 25°C
Flash_Point: 148.8ºC
LogP: -0.79
Bolling_Point: 322.4ºC at 760 mmHg
PSA: 83.54000
Molecular_Structure: ['1 . Molar refractive index 3822 ', '2 . Molar volume (m3/mol)1078 ', '3 . Parachor (902K)3143 ', '4 . Surface tension 720 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10 -24cm 3)无可用 ', '7 . Polarizability 1515']
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 :11 ', '6. TPSA 781 ', '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: >300 °C(lit.)
MF: C6H6N4O2
Exact_Mass: 166.049072
FW: 166.137
Density: 1.5±0.1 g/cm3
More_Info: ['1 . Appearance 针状结晶。 ', '2 . Density(g/cm3,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)>300 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,6mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºF)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mmHg,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Unknow']
Symbol: GHS07
Risk_Statements(EU): R22
HS_Code: 2942000000
WGK_Germany: 1
RTECS: ZD8750000
RIDADR: NONH for all modes of transport
Hazard_Codes: Xn:Harmful;
Warning_Statement: P301 + P312 + P330
Safety_Statements: H302

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