7-Methylxanthine Structure

7-Methylxanthine

Chemical Properties

Melting point ≥300 °C
Density  1.83±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO (Slightly, Heated), Methanol (Slightly, Heated)
form  Solid
pka pK1:8.33;pK2:ca;pK3:13 (25°C)
color  Light Brown to Light Grey
Water Solubility  Soluble in dimethyl sulfoxide. Insoluble in water.
BRN  171027
InChI 1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
InChIKey PFWLFWPASULGAN-UHFFFAOYSA-N
SMILES Cn1cnc2NC(=O)NC(=O)c12
FDA UNII E9M81NJM6G
UNSPSC Code 41106305
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Precautionary statements P264-P270-P301+P312-P330-P501
Hazard Codes  T+
Risk Statements  26/27/28
Safety Statements  22-24/25
WGK Germany  3
RTECS  ZD8925000
F  10
HS Code  29335990
Storage Class 13 - Non Combustible Solids
NFPA 704:
1
0 0

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