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Caffeine structure, CAS 58-08-2

Caffeine

CAS Number58-08-2

Synonyms1,3,7-trimethylpurine-2,6-dione; 1,3,7-Trimethylxanthine; SDCCGMLS-0064595.P002; PDSP2_001000; KBioGR_002325

Molecular FormulaC8H10N4O2

Molecular Weight194.19

Purity98.5-101.0 (HPLC)%

Density

Boiling Point

Melting Point235-239 °C

Flash Point

Appearancecrystalline powder

EINECS

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Cat. No.: 2A-9009535 Purity: 98.5-101.0 (HPLC)%
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Quality Control of [ 58-08-2 ] Purity: 98.5-101.0 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number58-08-2
Catalog No.2A-9009535
Synonyms1,3,7-trimethylpurine-2,6-dione; 1,3,7-Trimethylxanthine; SDCCGMLS-0064595.P002; PDSP2_001000; KBioGR_002325
Molecular FormulaC8H10N4O2
Molecular Weight194.19
Purity98.5-101.0 (HPLC)
Melting Point235-239 °C
Appearancecrystalline powder
MDL NumberMFCD00005758
SMILES[n]1(c2c(nc1)N(C(=O)N(C2=O)C)C)C
InChI1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChI KeyRYYVLZVUVIJVGH-UHFFFAOYSA-N
UNSPSC12352115
MSDSmsds/9535_1_58_08_2.pdf
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