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3-ISOBUTYL-1-METHYLXANTHINE Structure

3-ISOBUTYL-1-METHYLXANTHINE

Chemical Properties

Melting point 200-201 °C(lit.)
Boiling point 363.42°C (rough estimate)
Density  1.2042 (rough estimate)
refractive index  1.6500 (estimate)
storage temp.  -20°C
solubility  DMSO: 1 M with gentle warming
form  powder
pka 8.61±0.70(Predicted)
color  off-white
BRN  247859
Stability Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 3 months.
InChI 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)
InChIKey APIXJSLKIYYUKG-UHFFFAOYSA-N
SMILES N1C2=C(N(CC(C)C)C(=O)N(C)C2=O)NC=1
CAS DataBase Reference 28822-58-4(CAS DataBase Reference)

Safety Information

Hazard Codes  Xn
Risk Statements  22
Safety Statements  24/25
WGK Germany  3
RTECS  ZD8500000
HS Code  29335990
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

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