User:AngelHerraez/Sandbox/Caffeine - Revision history

AngelHerraez: reviving this test page (images now work)

2010-10-13T19:51:48Z

reviving this test page (images now work)

AngelHerraez: reviving this test page (images now work)

2010-10-13T19:50:30Z

reviving this test page (images now work)

AngelHerraez: comment on the pseudo-ChemBox used here

2009-06-13T22:49:12Z

comment on the pseudo-ChemBox used here

AngelHerraez: testing the Chembox template

2009-05-24T18:46:10Z

testing the Chembox template

AngelHerraez: trying to add the new '3DStruct' parameter

2009-05-24T18:43:27Z

trying to add the new '3DStruct' parameter

AngelHerraez: User:AngelHerraez/Sandbox/Aspirin moved to User:AngelHerraez/Sandbox/Caffeine

2009-05-24T18:20:29Z

User:AngelHerraez/Sandbox/Aspirin moved to User:AngelHerraez/Sandbox/Caffeine

AngelHerraez: adding Chembox Structure content

2009-05-24T17:04:45Z

adding Chembox Structure content

AngelHerraez at 16:58, 24 May 2009

2009-05-24T16:58:28Z

AngelHerraez: testing the Chembox template

2009-05-24T16:04:11Z

testing the Chembox template

New page

{{chembox
| Name = Caffeine
| ImageFileL1 = Caffeine.svg
| ImageSizeL1 = 100px
| ImageNameL1 = Hybrid skeletal structure of the caffeine molecule
| ImageFileR1 = Caffeine-3D-QuteMol.png
| ImageSizeR1 = 145px
| ImageNameR1 = Space-filling model of the caffeine molecule
| ImageFile = Caffeine.JPG
| ImageSize = 250px
| ImageName = Anhydrous caffeine
| IUPACName = 1,3,7-trimethyl- 1''H''-purine- 2,6(3''H'',7''H'')-dione
| OtherNames = 1,3,7-trimethylxanthine, trimethylxanthine, theine, methyltheobromine
| Section1 = {{Chembox Identifiers
| SMILES = C[n]1cnc2N(C)C(=O)N(C)C(=O)c12
| CASNo = 58-08-2
| CASNo_Ref = {{cascite}}
| ChemSpiderID = 2424
| RTECS = EV6475000
}}
| Section2 = {{Chembox Properties
| Formula = C8H10N4O2
| MolarMass = 194.19 g/mol
| Appearance = Odorless, white needles or powder
| Density = 1.23 g/cm3, solid
| Solubility = 2.17 g/100 ml (25 Â°C) 18.0 g/100 ml (80 Â°C) 67.0 g/100 ml (100 Â°C)
| MeltingPt = 227â228 Â°C (anhydrous); 234â235 Â°C (monohydrate)
| BoilingPt = 178 Â°C (''[[sublimation (chemistry)|subl.]]'')
| pKa = â0.13â1.22<ref>This is the pKa for protonated caffeine, given as a range of values included in {{cite book |title=Profiles of Drug Substances, Excipients and Related Methodology, volume 33: Critical Compilation of Pka Values for Pharmaceutical Substances |author=Harry G. Brittain, Richard J. Prankerd |publisher=Academic Press |year=2007 |isbn=012260833X}}</ref>
| Dipole = 3.64 [[Debye|D]] (calculated)
}}
| Section7 = {{Chembox Hazards
| ExternalMSDS = [http://www.sciencestuff.com/msds/C1410.html External MSDS]
| MainHazards = May be fatal if inhaled, swallowed or absorbed through the skin.
| NFPA-H = 2
| NFPA-F = 1
| NFPA-R =
| FlashPt = N/A
| LD50 = 192 mg/kg (rat, oral)<ref name="ld50"/>
}}
}}

← Older revision		Revision as of 19:51, 13 October 2010
Line 27:		Line 27:
	The link is inserted using standard syntax of the ChemBox template, that includes a parameter with the filename (that's why the link text is the same as the filename, just simplifying things).		The link is inserted using standard syntax of the ChemBox template, that includes a parameter with the filename (that's why the link text is the same as the filename, just simplifying things).
	The link opens a small, resizable browser window (a pop-up, but only by user's action, so it should not be blocked by pop-up-blocker software) with the JmolApplet that covers the full window and resizes with it.		The link opens a small, resizable browser window (a pop-up, but only by user's action, so it should not be blocked by pop-up-blocker software) with the JmolApplet that covers the full window and resizes with it.
−
−	~~(Images are not working temporarily, but under normal conditions should be there at the top row of the ChemBox).~~

← Older revision		Revision as of 22:49, 13 June 2009
Line 23:		Line 23:
	}}		}}
	}}		}}
		+
		+	This a duplicate of (part of) the ChemBox template used at Wikipedia, with an added item, '3D structure' inside the 'Structure' section.
		+	The link is inserted using standard syntax of the ChemBox template, that includes a parameter with the filename (that's why the link text is the same as the filename, just simplifying things).
		+	The link opens a small, resizable browser window (a pop-up, but only by user's action, so it should not be blocked by pop-up-blocker software) with the JmolApplet that covers the full window and resizes with it.
		+
		+	(Images are not working temporarily, but under normal conditions should be there at the top row of the ChemBox).

@@ Line 1: / Line 1: @@
 {{chembox
 |   Name = Caffeine
-|   ImageFileL1 = Caffeine.svg
+|   ImageFileL1 = Caffeine.gif
 |   ImageSizeL1 = 100px
 |   ImageNameL1 = Hybrid skeletal structure of the caffeine molecule
-|   ImageFileR1 = Caffeine-3D-QuteMol.png
+|   ImageFileR1 = Caffeine-3D.gif
 |   ImageSizeR1 = 145px
 |   ImageNameR1 = Space-filling model of the caffeine molecule
 |   IUPACName = 1,3,7-trimethyl- 1''H''-purine- 2,6(3''H'',7''H'')-dione
 |   OtherNames = 1,3,7-trimethylxanthine, trimethylxanthine,<br />theine, methyltheobromine
@@ Line 20: / Line 17: @@
    }}
 | Section2 = {{Chembox Structure
-| 3DStruct =
+| 3DStruct = Caffeine.mol
 | CrystalStruct =
 | Coordination =
-| MolShape =
+| MolShape = mostly planar
    }}
 }}

@@ Line 12: / Line 12: @@
 |   IUPACName = 1,3,7-trimethyl- 1''H''-purine- 2,6(3''H'',7''H'')-dione
 |   OtherNames = 1,3,7-trimethylxanthine, trimethylxanthine,<br />theine, methyltheobromine
-| Section1 = {{Chembox Structure
+| Section1 = {{Chembox Identifiers
 |   SMILES = C[n]1cnc2N(C)C(=O)N(C)C(=O)c12
 |   CASNo = 58-08-2
@@ Line 25: / Line 19: @@
 |   RTECS = EV6475000
    }}
-| Section3 = {{Chembox Properties
+| Section2 = {{Chembox Structure
-|   Formula = C<sub>8</sub>H<sub>10</sub>N<sub>4</sub>O<sub>2</sub>
+| 3DStruct =
-|   MolarMass = 194.19 g/mol
+| CrystalStruct =
-|   Appearance = Odorless, white needles or powder
+| Coordination =
-|   Density = 1.23 g/cm<sup>3</sup>, solid
+| MolShape =
    }}
 }}

← Older revision	Revision as of 18:20, 24 May 2009
(No difference)