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Revision as of 18:27, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 467652880 of page 5-Benzyloxytryptamine for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 18:27, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456620789 of page 5-Bromo-DMT 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|drugbox}}) 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.}}
{{Drugbox {{chembox
| verifiedrevid = 451561330 | verifiedrevid = 413275757
| Name = 5-Bromo-DMT
| IUPAC_name = 2-(5-phenylmethoxy-1''H''-indol-3-yl)ethanamine
| ImageFile = 5-Bromo-DMT.svg
| image = 5-benzyloxytryptamine.png
| ImageSize = 200px

| ImageName =
<!--Clinical data-->
| IUPACName = dimethylamine
| tradename =
| Section1 = {{Chembox Identifiers

⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
<!--Identifiers-->
⚫ | ChemSpiderID = 319812
⚫ | CASNo_Ref = {{cascite|??|??}}
| InChI = 1/C12H15BrN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3
⚫ | CAS_number_Ref = {{cascite|correct|??}}
| InChIKey = ATEYZYQLBQUZJE-UHFFFAOYAL
⚫ | CAS_number = <!-- blanked - oldvalue: 20776-45-8 -->
| SMILES1 = CN(C)CCc2cnc1ccc(Br)cc12
⚫ | PubChem = 89576
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| IUPHAR_ligand =
| ChEMBL = 403031
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 80845

<!--Chemical data-->
| C=17 | H=18 | N=2 | O=1
| molecular_weight = 266.34 g/mol
| smiles = NCCC1=CNC2=CC=C(OCC3=CC=CC=C3)C=C21
| InChI = 1/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
| InChIKey =
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2 | StdInChI = 1S/C12H15BrN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = WKPDXBXNJWWWGQ-UHFFFAOYSA-N | StdInChIKey = ATEYZYQLBQUZJE-UHFFFAOYSA-N
⚫ | CASNo_Ref = {{cascite|correct|??}}
⚫ | CASNo = <!-- blanked - oldvalue: 17274-65-6 -->
⚫ | PubChem = 360252
| SMILES = CN(C)CCC1=CNC2=C1C=C(Br)C=C2
}}
| Section2 = {{Chembox Properties
| Formula = C<sub>12</sub>H<sub>15</sub>N<sub>2</sub>Br
| MolarMass =
| Density =
| MeltingPt = 98-99 °C
| BoilingPt =
}}
}} }}

Revision as of 18:27, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 456620789 of page 5-Bromo-DMT with values updated to verified values.
5-Bromo-DMT
Names
IUPAC name dimethylamine
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C12H15BrN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3Key: ATEYZYQLBQUZJE-UHFFFAOYSA-N
  • InChI=1/C12H15BrN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3Key: ATEYZYQLBQUZJE-UHFFFAOYAL
SMILES
  • CN(C)CCC1=CNC2=C1C=C(Br)C=C2
  • CN(C)CCc2cnc1ccc(Br)cc12
Properties
Chemical formula C12H15N2Br
Melting point 98-99 °C
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