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Revision as of 17:54, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 443807638 of page 3-Mercaptopyruvic_acid for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 17:54, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 467021484 of page 3-Methoxy-4-ethoxyphenethylamine for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{chembox {{chembox
| verifiedrevid = 443350114 | verifiedrevid = 399313506
|ImageFile=3-Mercaptopyruvic acid.svg | ImageFile = MEPEA.png
|ImageSize= | ImageSize = 200px
|IUPACName=3-mercapto-2-oxopropanoic acid | IUPACName = 2-(4-ethoxy-3-methoxyphenyl)ethanamine
|OtherNames= | OtherNames =
|Section1={{Chembox Identifiers | Section1 = {{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 96 | ChemSpiderID = 125332
| InChI = 1/C11H17NO2/c1-3-14-10-5-4-9(6-7-12)8-11(10)13-2/h4-5,8H,3,6-7,12H2,1-2H3
⚫ | KEGG_Ref = {{keggcite|correct|kegg}}
| InChIKey = AFMUTJRFLRYILG-UHFFFAOYAD
| KEGG = C00957
⚫ | SMILES1 = O(c1ccc(cc1OC)CCN)CC
| InChI = 1/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)
| InChIKey = OJOLFAIGOXZBCI-UHFFFAOYAZ
⚫ | SMILES1 = O=C(O)C(=O)CS
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6) | StdInChI = 1S/C11H17NO2/c1-3-14-10-5-4-9(6-7-12)8-11(10)13-2/h4-5,8H,3,6-7,12H2,1-2H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = OJOLFAIGOXZBCI-UHFFFAOYSA-N | StdInChIKey = AFMUTJRFLRYILG-UHFFFAOYSA-N
⚫ | CASNo_Ref = {{cascite|correct|??}}
| CASNo = <!-- blanked - oldvalue: 2464-23-5 --> | CASNo = <!-- blanked - oldvalue: 36377-59-0 -->
| PubChem=98 | PubChem = 142076
| ChEBI_Ref = {{ebicite|correct|EBI}}
| SMILES = COc1cc(ccc1OCC)CCN}}
| ChEBI = 16208
⚫ | Section2 = {{Chembox Properties
| SMILES=C(C(=O)C(=O)O)S
⚫ | Formula = C<sub>11</sub>H<sub>17</sub>NO<sub>2</sub>
| MeSHName=3-mercaptopyruvic+acid
⚫ | MolarMass = 195.258 g/mol
}}
⚫ | Appearance =
⚫ |Section2={{Chembox Properties
⚫ | Density =
⚫ | Formula=C<sub>3</sub>H<sub>4</sub>O<sub>3</sub>S
⚫ | MeltingPt =
⚫ | MolarMass=120.12706
⚫ | BoilingPt =
⚫ | Appearance=
⚫ | Solubility = }}
⚫ | Density=
⚫ | Section3 = {{Chembox Hazards
⚫ | MeltingPt=
⚫ | MainHazards =
⚫ | BoilingPt=
⚫ | FlashPt =
⚫ | Solubility=
}} | Autoignition = }}
⚫ |Section3={{Chembox Hazards
⚫ | MainHazards=
⚫ | FlashPt=
| Autoignition=
}}
}} }}

Revision as of 17:54, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 467021484 of page 3-Methoxy-4-ethoxyphenethylamine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 2-(4-ethoxy-3-methoxyphenyl)ethanamine
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C11H17NO2/c1-3-14-10-5-4-9(6-7-12)8-11(10)13-2/h4-5,8H,3,6-7,12H2,1-2H3Key: AFMUTJRFLRYILG-UHFFFAOYSA-N
  • InChI=1/C11H17NO2/c1-3-14-10-5-4-9(6-7-12)8-11(10)13-2/h4-5,8H,3,6-7,12H2,1-2H3Key: AFMUTJRFLRYILG-UHFFFAOYAD
SMILES
  • COc1cc(ccc1OCC)CCN
  • O(c1ccc(cc1OC)CCN)CC
Properties
Chemical formula C11H17NO2
Molar mass 195.258 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound