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Revision as of 13:22, 24 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 453515484 of page N-Acetylserotonin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI', 'CASNo').← Previous edit Revision as of 13:25, 24 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 457106706 of page N-Methyltryptamine for the Chem/Drugbox validation project (updated: 'CAS_number').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|drugbox}}) taken from revid of page ] with values updated to verified values.}}
{{Chembox {{Drugbox
| Verifiedfields = changed
| verifiedrevid = 453514473 | verifiedrevid = 415855795
| Name = ''N''-Acetylserotonin
| IUPAC_name = 2-(1H-Indol-3-yl)-''N''-methylethanamine
| ImageFile = N-Acetylserotonin.png
| image = Methyltryptamine.png
| ImageSize =
| width = 140
| ImageFile2 = N-Acetylserotonin-3D-sticks.png
| drug_name = ''N''-Methyltryptamine
| IUPACName = ''N''-acetamide

| OtherNames = ''N''-acetyl-5-hydroxytryptamine, ''N''-acetyl-5-HT
<!--Clinical data-->
| Section1 = {{Chembox Identifiers
| tradename =
⚫ | CASNo = <!-- blanked - oldvalue: 1210-83-9 -->

⚫ | ChEMBL = 33103
<!--Identifiers-->
⚫ | ChEBI = 17697
| CAS_number_Ref = {{cascite|correct|??}}
⚫ | PubChem = 903
⚫ | CAS_number = <!-- blanked - oldvalue: 61-49-4 -->
| SMILES = CC(=O)NCCC1=CNC2=C1C=C(C=C2)O
⚫ | PubChem = 6088
| MeSHName = ''N''-Acetylserotonin
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 879 | ChemSpiderID = 5863
| KEGG_Ref = {{keggcite|correct|kegg}}
⚫ | InChI = 1/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
| KEGG = C06213
| InChIKey = MVAWJSIDNICKHF-UHFFFAOYAX
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | ChEBI_Ref = {{ebicite|changed|EBI}}
⚫ | ChEBI = 28136
⚫ | StdInChI = 1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
⚫ | ChEMBL = 348588
⚫ | StdInChIKey = MVAWJSIDNICKHF-UHFFFAOYSA-N

}}
<!--Chemical data-->
| Section2 = {{Chembox Properties
| C=11 | H=14 | N=2
| Formula = C<sub>12</sub>H<sub>14</sub>N<sub>2</sub>O<sub>2</sub>
| MolarMass = 218.252 g/mol | molecular_weight = 174.245 g/mol
| smiles = c1cccc2c1c(cn2)CCNC
| Appearance =
⚫ | InChI = 1/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
| Density =
| InChIKey = NCIKQJBVUNUXLW-UHFFFAOYAC
| MeltingPt =
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| BoilingPt =
⚫ | StdInChI = 1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
| Solubility =
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
}}
⚫ | StdInChIKey = NCIKQJBVUNUXLW-UHFFFAOYSA-N
| Section3 = {{Chembox Hazards
| MainHazards = | melting_point = 87
| FlashPt = | melting_high = 89
| Autoignition =
}}
}} }}

Revision as of 13:25, 24 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 457106706 of page N-Methyltryptamine with values updated to verified values.
N-Methyltryptamine
Identifiers
IUPAC name
  • 2-(1H-Indol-3-yl)-N-methylethanamine
PubChem CID
ChemSpider
KEGG
ChEBI
ChEMBL
Chemical and physical data
FormulaC11H14N2
Molar mass174.245 g/mol g·mol
3D model (JSmol)
Melting point87 to 89 °C (189 to 192 °F)
SMILES
  • c1cccc2c1c(cn2)CCNC
InChI
  • InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
  • Key:NCIKQJBVUNUXLW-UHFFFAOYSA-N
  (what is this?)  (verify)