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Revision as of 17:35, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 471983762 of page 2C-D for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 17:35, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 470880965 of page 2C-E 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
| Verifiedfields = changed
| verifiedrevid = 413114600 | verifiedrevid = 464185568
| ImageFile1 = 2C-D-Marvin Sketch.png | ImageFile1 = 2C-E-MS.png
| ImageSize1 = 180px
| ImageFileL2 = 2C-D-3d-sticks.png | ImageSize1 = 200px
| ImageFileL2 = 2C-E-3d-sticks.png
| ImageSizeL2 = 100px | ImageSizeL2 = 100px
| ImageFileR2 = 2C-D_animation.gif | ImageFileR2 = 2C-E animation.gif
| ImageSizeR2 = 125px | ImageSizeR2 = 125px
| IUPACName = 1-(2,5-Dimethoxy-4-methylphenyl)-2-aminoethane | IUPACName = 1-(2,5-Dimethoxy-4-ethylphenyl)-2-aminoethane
| OtherNames = 2,5-Dimethoxy-4-methyl-phenethylamine | OtherNames = 2,5-Dimethoxy-4-ethyl-phenethylamine, Aquarust
| SceneNames = Zwiebeln (German)
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| InChI = 1/C11H17NO2/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h6-7H,4-5,12H2,1-3H3 | InChI = 1/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3
| InChIKey = UNQQFDCVEMVQHM-UHFFFAOYAJ | InChIKey = VDRGNAMREYBIHA-UHFFFAOYAI
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 124049 | ChEMBL = 124063
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C11H17NO2/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h6-7H,4-5,12H2,1-3H3 | StdInChI = 1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = UNQQFDCVEMVQHM-UHFFFAOYSA-N | StdInChIKey = VDRGNAMREYBIHA-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|changed|??}}
| CASNo = <!-- blanked - oldvalue: 24333-19-5 --> | CASNo = <!-- blanked - oldvalue: 71539-34-9 -->
⚫ | PubChem = 24729233
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 119559 | ChemSpiderID = 21106222
⚫ | SMILES = COc1cc(CC)c(cc1CCN)OC
⚫ | PubChem = 135740
⚫ | SMILES = O(c1cc(c(OC)cc1CCN)C)C
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| Formula = C<sub>11</sub>H<sub>17</sub>NO<sub>2</sub> | Formula = C<sub>12</sub>H<sub>19</sub>NO<sub>2</sub>
| MolarMass = 195.26 g/mol | MolarMass = 209.29 g/mol
| Appearance = | Appearance =
| Density = | Density =
| MeltingPt = 213-214 °C (]) | MeltingPt =
| BoilingPt = | BoilingPt =
| Solubility = }} | Solubility = >70&nbsp;mg/ml (20&nbsp;°C)
}}
| Section3 = {{Chembox Hazards | Section3 = {{Chembox Hazards
| MainHazards = | MainHazards =
| FlashPt = | FlashPt =
| Autoignition = }} | Autoignition = }}
}} }}

Revision as of 17:35, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 470880965 of page 2C-E with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 1-(2,5-Dimethoxy-4-ethylphenyl)-2-aminoethane
Other names 2,5-Dimethoxy-4-ethyl-phenethylamine, Aquarust
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3Key: VDRGNAMREYBIHA-UHFFFAOYSA-N
  • InChI=1/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3Key: VDRGNAMREYBIHA-UHFFFAOYAI
SMILES
  • COc1cc(CC)c(cc1CCN)OC
Properties
Chemical formula C12H19NO2
Molar mass 209.29 g/mol
Solubility in water >70 mg/ml (20 °C)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound