CAS No: 1076-22-8, Chemical Name: 3-Methylxanthine
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1076-22-8 3-Methylxanthine

product Name 3-Methylxanthine
Synonyms 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-; 3 MX; CCRIS 5817; NSC 515466; 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-; 3,7-Dihydro-3-methyl-1H-purine-2,6-dione; Xanthine, 3-methyl-; 3-methyl-3,7-dihydro-1H-purine-2,6-dione; 3-methyl-3H-purine-2,6-diol; 2,6-Dihydroxy-3-methylpurine; 3-methyl-1H-purine-2,6(3H,7H)-dione
Molecular Formula C6H6N4O2
Molecular Weight 166.1374
InChI InChI=1/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2,11H,1H3,(H,9,12)
CAS Registry Number 1076-22-8
EINECS 214-058-1
Molecular Structure 1076-22-8 3-Methylxanthine
Density 1.83g/cm3
Melting point >300℃
Boiling point 322.4°C at 760 mmHg
Refractive index 1.827
Flash point 148.8°C
Vapour Pressur 2.23E-05mmHg at 25°C
Hazard Symbols  Xn:Harmful;
Risk Codes R22:;
Safety Description S22:;
S24/25:;