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
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;