3-ISOBUTYL-1-METHYLXANTHINE


Catalog No:   FT-0615920

CAS No:   28822-58-4

  • Molecular Formula:  222.24
  • Formula Weight: C10H14N4O2
  • Inchl Key: APIXJSLKIYYUKG-UHFFFAOYSA-N
  • Inchl: InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,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
Bolling_Point: 445.6±37.0 °C at 760 mmHg
CAS: 28822-58-4
MF: C10H14N4O2
Melting_Point: 200-201 °C(lit.)
Symbol: Warning
Density: 1.3±0.1 g/cm3
FW: 222.244
Product_Name: 3-Isobutyl-1-methylxanthine
Flash_Point: 223.3±26.5 °C
Bolling_Point: 445.6±37.0 °C at 760 mmHg
LogP: 1.24
More_Info: ['1 . Appearance White to 浅灰色结晶粉末 ', '2 . Density(g/mL,25℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)200-201 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC, KPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(Pa,70ºC)Unknow ', '12 . Saturated vapor pressure(KPa,20ºC)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 几乎Insoluble in Water ,Soluble in Ethanol ,2-丙醇']
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :4 ', '6. TPSA 693 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :318 ', '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: 200-201 °C(lit.)
Vapor_Pressure: 0.0±1.1 mmHg at 25°C
Exact_Mass: 222.111679
MF: C10H14N4O2
Density: 1.3±0.1 g/cm3
Refractive_Index: 1.569
PSA: 72.68000
Flash_Point: 223.3±26.5 °C
FW: 222.244
WGK_Germany: 3
Symbol: Warning
HS_Code: 2942000000
Safety_Statements: S24/25
Personal_Protective_Equipment: dust mask type N95 (US);Eyeshields;Faceshields;Gloves
RTECS: ZD8500000
RIDADR: NONH for all modes of transport
Risk_Statements(EU): R22
Hazard_Codes: Xn: Harmful;

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