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1-Hexyl-3,7-Dimethylpurine-2,6-Dione
[CAS# 1028-33-7]

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Identification
Name 1-Hexyl-3,7-Dimethylpurine-2,6-Dione
Synonyms 1-Hexyl-3,7-Dimethyl-Purine-2,6-Dione; 1-Hexyl-3,7-Dimethyl-Xanthine; Pentifyllinum [Inn-Latin]
Molecular Structure CAS#: 1028-33-7, 1-Hexyl-3,7-Dimethylpurine-2,6-Dione
Molecular Formula C13H20N4O2
Molecular Weight 264.33
CAS Registry Number 1028-33-7
EINECS 213-842-0
SMILES C2=NC1=C(C(N(C(N1C)=O)CCCCCC)=O)[N]2C
InChI 1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3
InChIKey MRWQRJMESRRJJB-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Melting point 80-81°C (Expl.)
Boiling point 452.5±37.0°C at 760 mmHg (Cal.)
Flash point 227.5±26.5°C (Cal.)
Safety Data
Safety Code S36  Details
Risk Code R22  Details
Hazard Symbol symbol  X  Details
Safety Description HARMFUL
SDS Available
Market Analysis Reports
List of Reports Available for 1-Hexyl-3,7-Dimethylpurine-2,6-Dione
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