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1,3,7-Trimethylpurine-2,6-Dione
[CAS# 95789-13-2]

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Identification
Name 1,3,7-Trimethylpurine-2,6-Dione
Synonyms 1,3,7-Trimethylxanthine; Sdccgmls-0064595.P002; Pdsp2_001000
Molecular Structure CAS#: 95789-13-2, 1,3,7-Trimethylpurine-2,6-Dione
Molecular Formula C8H10N4O2
Molecular Weight 194.19
CAS Registry Number 95789-13-2
SMILES C2=NC1=C(C(N(C)C(N1C)=O)=O)[N]2C
InChI 1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N
Properties
Density 1.5±0.1g/cm3 (Cal.)
1.23 (Expl.)
Melting point 234-236°C (Expl.)
Boiling point 416.8±37.0°C at 760 mmHg (Cal.)
178°C (Expl.)
Flash point 205.9±26.5°C (Cal.)
Safety Data
Safety Code S2  Details
Risk Code R22  Details
Hazard Symbol symbol  X  Details
Transport Information UN1544
Safety Description WARNING: Causes CNS effects, skin and eye irritation
Safety glasses.
DANGER: POISON, irritates skin, eyes, lungs
References
(1) Xia Lei, Bo Liu, Weinong Han, Mei Ming and Yu-Ying He. UVB-Induced p21 degradation promotes apoptosis of human keratinocytes, Photochem. Photobiol. Sci., 2010, 9, 1640.
Market Analysis Reports
List of Reports Available for 1,3,7-Trimethylpurine-2,6-Dione
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