Difference between revisions of "User:AngelHerraez/Sandbox/Caffeine"
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AngelHerraez (talk | contribs) (testing the Chembox template) |
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| IUPACName = 1,3,7-trimethyl- 1''H''-purine- 2,6(3''H'',7''H'')-dione | | IUPACName = 1,3,7-trimethyl- 1''H''-purine- 2,6(3''H'',7''H'')-dione | ||
| OtherNames = 1,3,7-trimethylxanthine, trimethylxanthine,<br />theine, methyltheobromine | | OtherNames = 1,3,7-trimethylxanthine, trimethylxanthine,<br />theine, methyltheobromine | ||
| − | | Section1 = {{Chembox Identifiers | + | | Section1 = {{Chembox Structure |
| + | | 3DStruct = | ||
| + | | CrystalStruct = | ||
| + | | Coordination = | ||
| + | | MolShape = | ||
| + | }} | ||
| + | | Section2 = {{Chembox Identifiers | ||
| SMILES = C[n]1cnc2N(C)C(=O)N(C)C(=O)c12 | | SMILES = C[n]1cnc2N(C)C(=O)N(C)C(=O)c12 | ||
| CASNo = 58-08-2 | | CASNo = 58-08-2 | ||
| − | | CASNo_Ref = | + | | CASNo_Ref = |
| ChemSpiderID = 2424 | | ChemSpiderID = 2424 | ||
| RTECS = EV6475000 | | RTECS = EV6475000 | ||
}} | }} | ||
| − | | | + | | Section3 = {{Chembox Properties |
| Formula = C<sub>8</sub>H<sub>10</sub>N<sub>4</sub>O<sub>2</sub> | | Formula = C<sub>8</sub>H<sub>10</sub>N<sub>4</sub>O<sub>2</sub> | ||
| MolarMass = 194.19 g/mol | | MolarMass = 194.19 g/mol | ||
Revision as of 16:58, 24 May 2009
Template:Chembox FormulaTemplate:Chembox MolarMassTemplate:Chembox AppearanceTemplate:Chembox DensityTemplate:Chembox MeltingPtTemplate:Chembox BoilingPtTemplate:Chembox SolubilityTemplate:Chembox pKaTemplate:Chembox DipoleTemplate:Chembox ExternalMSDSTemplate:Chembox MainHazardsTemplate:Chembox NFPATemplate:Chembox FlashPtTemplate:Chembox LD50
| Caffeine | |
|---|---|
| Anhydrous caffeine | |
| IUPAC name | |
| Other names | 1,3,7-trimethylxanthine, trimethylxanthine, theine, methyltheobromine |
| Identifiers | |
| CAS number | [] |
| RTECS number | EV6475000 |
| SMILES | |
| ChemSpider ID | |
| Properties | |
| Hazards | |
| Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox references | |
- ↑ This is the pKa for protonated caffeine, given as a range of values included in Template:Cite book
- ↑ Cite error: Invalid
<ref>tag; no text was provided for refs namedld50
