CAS 519-32-4: Isocaffeine

Formula: C₈H₁₀N₄O₂

InChI: InChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3

InChI key: InChIKey=LPHGQDQBBGAPDZ-UHFFFAOYSA-N

SMILES: O=C1C=2N=CN(C2N(C(=O)N1C)C)C

Synonyms:

• 1,3,9-Trimethyl-1H-purine-2,6(3H,9H)-dione
• 1,3,9-Trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
• 1,3,9-Trimethylpurine-2,6-dione
• 1,3,9-Trimethylxanthine
• 1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
• 1H-Purine-2,6-dione, 3,9-dihydro-1,3,9-trimethyl-
• 3,9-Dihydro-1,3,9-trimethyl-1H-purine-2,6-dione
• 9-Methyltheophylline
• Isocaffeine
• NSC 28332

Caffeine Related Compound C (1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione)

CAS: 519-32-4

Compounds containing a pyrimidine ring, whether or not hydrogenated, or piperazine ring in the structure, …

• Formula: C₈H₁₀N₄O₂
• Color and Shape: White Fine Powder
• Molecular weight: 194.08038

ISOCAFFEINE

CAS: 519-32-4

• Formula: C₈H₁₀N₄O₂
• Purity: 97%
• Color and Shape: Solid
• Molecular weight: 194.1906

Caffeine EP Impurity C (Isocaffeine)

CAS: 519-32-4

• Formula: C₈H₁₀N₄O₂
• Color and Shape: White To Off-White Solid
• Molecular weight: 194.19

1,3,9-Trimethylxanthine

CAS: 519-32-4

• Formula: C₈H₁₀N₄O₂
• Molecular weight: 194.19

1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione (Isocaffeine)

CAS: 519-32-4

• Formula: C₈H₁₀N₄O₂
• Color and Shape: Neat
• Molecular weight: 194.19

Isocaffeine

CAS: 519-32-4

Applications Isocaffeine is an impurity of Caffeine (C080100), a xanthine alkaloid that acts as a …

• Formula: C₈H₁₀N₄O₂
• Color and Shape: White To Off-White
• Molecular weight: 194.19

1,3,9-Trimethylxanthine

CAS: 519-32-4

1,3,9-Trimethylxanthine is a naturally occurring purine alkaloid that has been shown to have cytosolic calcium …

• Formula: C₈H₁₀N₄O₂
• Purity: Min. 95%
• Color and Shape: White Powder
• Molecular weight: 194.19 g/mol

Isocaffeine-d3

CAS: 519-32-4

• Formula: C₈D₃H₇N₄O₂
• Color and Shape: Neat
• Molecular weight: 197.209