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Revision as of 16:31, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 413093172 of page 1,8-Diaminonaphthalene for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 16:32, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 475471172 of page 1,8-Diazabicycloundec-7-ene for the Chem/Drugbox validation project (updated: '').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 = 413090959 | verifiedrevid = 444320828
| Name = 1,8-Diazabicycloundec-7-ene
|ImageFile=1,8-Diaminonaphthalene.png
| ImageFile = DBU.svg
|ImageSize=
<!-- | ImageSize = 200px -->
|IUPACName=naphthalene-1,8-diamine
| ImageName =
|OtherNames=
| IUPACName = 2,3,4,6,7,8,9,10-octahydropyrimidoazepine
|Section1={{Chembox Identifiers
| OtherNames = DBU,Diazabicycloundecene
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| Section1 = {{Chembox Identifiers
| ChemSpiderID = 61381
| SMILES = N\2=C1\N(CCCCC1)CCC/2
| InChI = 1/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| InChIKey = YFOOEYJGMMJJLS-UHFFFAOYAU
| ChemSpiderID = 73246
| SMILES1 = c1(cccc2cccc(N)c12)N
| InChI = 1/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| InChIKey = GQHTUMJGOHRCHB-UHFFFAOYAM
| ChEMBL = 595537
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2 | StdInChI = 1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = YFOOEYJGMMJJLS-UHFFFAOYSA-N | StdInChIKey = GQHTUMJGOHRCHB-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = <!-- blanked - oldvalue: 479-27-6 -->
| CASNo = 6674-22-2
| PubChem=68067
| RTECS =
| SMILES=C1=CC2=C(C(=C1)N)C(=CC=C2)N
}} }}
|Section2={{Chembox Properties | Section2 = {{Chembox Properties
| Formula=C<sub>10</sub>H<sub>10</sub>N<sub>2</sub> | Formula = C<sub>9</sub>H<sub>16</sub>N<sub>2</sub>
| MolarMass=158.1998 | MolarMass = 152.24 g/mol
| Appearance= | Appearance = Colorless liquid
| Density= | Density = 1.018 g/mL liquid
| MeltingPt= | Solubility =
| MeltingPtC = -70
| BoilingPt=
| BoilingPt = 80-83 °C (0.6 mmHg)
| Solubility=
| pKa = 24.34 (in ])<ref name="Kaljurand">I. Kaljurand, A. Kütt, L. Sooväli, T. Rodima, V. Mäemets, I. Leito, I. A. Koppel. Extension of the Self-Consistent Spectrophotometric Basicity Scale in Acetonitrile to a Full Span of 28 p''K''<sub>a</sub> Units: Unification of Different Basicity Scales. ''J. Org. Chem.'', '''2005''', ''70'', 1019–1028. </ref> (p''K''<sub>a</sub> value of protonated DBU)
| Viscosity =
}} }}
|Section3={{Chembox Hazards | Section7 = {{Chembox Hazards
| MainHazards= | ExternalMSDS =
| FlashPt= | MainHazards =
| FlashPt = 119.9°C
| Autoignition=
| RPhrases = R22 R34
| SPhrases = S24 S25
}} }}
| Section8 = {{Chembox Related | Section8 = {{Chembox Related
| OtherCpds =
| Function = ]s
| OtherFunctn = ]<br />]
}} }}
}} }}

Revision as of 16:32, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 475471172 of page 1,8-Diazabicycloundec-7-ene with values updated to verified values.
1,8-Diazabicycloundec-7-ene
Names
IUPAC name 2,3,4,6,7,8,9,10-octahydropyrimidoazepine
Other names DBU,Diazabicycloundecene
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
InChI
  • InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N
  • InChI=1/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2Key: GQHTUMJGOHRCHB-UHFFFAOYAM
SMILES
  • N\2=C1\N(CCCCC1)CCC/2
Properties
Chemical formula C9H16N2
Molar mass 152.24 g/mol
Appearance Colorless liquid
Density 1.018 g/mL liquid
Melting point −70 °C (−94 °F; 203 K)
Boiling point 80-83 °C (0.6 mmHg)
Acidity (pKa) 24.34 (in acetonitrile) (pKa value of protonated DBU)
Hazards
Flash point 119.9°C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkverify (what is  ?) Infobox references
Chemical compound
  1. I. Kaljurand, A. Kütt, L. Sooväli, T. Rodima, V. Mäemets, I. Leito, I. A. Koppel. Extension of the Self-Consistent Spectrophotometric Basicity Scale in Acetonitrile to a Full Span of 28 pKa Units: Unification of Different Basicity Scales. J. Org. Chem., 2005, 70, 1019–1028. DOI: 10.1021/jo048252w