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Revision as of 13:31, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 453603667 of page Safranin for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 13:31, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 458667545 of page Safrole 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
| Watchedfields = changed
| verifiedrevid = 422462567 | verifiedrevid = 415320282
| Name = Safranin
| ImageFile = Safranin Cl.svg | Name = Safrole
| Reference =<ref>'']'', 11th Edition, '''8287'''</ref>
⚫ <!-- | ImageSize = 200px -->
| ImageFile = safrole-Line-Structure.png
| ImageName = Safranin
⚫ | ImageSize = 200px
| ImageFile1 = Safranin-3D-balls.png
| IUPACName = 5-(2-propenyl)-1,3-benzodioxole
| ImageSize1 = 200px
| OtherNames = 5-allylbenzodioxole; 3,4-methylenedioxyphenyl-2-propene
| ImageName1 = Safranin
| IUPACName = Safranin
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 2005991 | ChemSpiderID = 13848731
| KEGG_Ref = {{keggcite|correct|kegg}}
| PubChem = 2723800
| KEGG = C10490
| InChI = 1/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H
| InChI = 1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
| InChIKey = OARRHUQTFTUEOS-UHFFFAOYAR
| InChIKey = ZMQAAUBTXCXRIC-UHFFFAOYAD
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 242273
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H | StdInChI = 1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = OARRHUQTFTUEOS-UHFFFAOYSA-N | StdInChIKey = ZMQAAUBTXCXRIC-UHFFFAOYSA-N
| CASNo = 477-73-6 | CASNo = 94-59-7
| CASNo_Ref = {{cascite|correct|CAS}}
| SMILES = .n1c4c((c2c1cc(c(N)c2)C)c3ccccc3)cc(c(c4)C)N
| SMILES = C=CCc1ccc2OCOc2c1
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| Formula = C<sub>20</sub>H<sub>19</sub>N<sub>4</sub><sup>+</sup>, Cl<sup>-</sup> | Formula = C<sub>10</sub>H<sub>10</sub>O<sub>2</sub>
| MolarMass = 350,84 g/mol | MolarMass = 162.19 g/mol
| Density = | ExactMass = 162.06808 u
| Density = 1.096 g/cm<sup>3</sup>
| MeltingPt =
| BoilingPt = | MeltingPtC = 11
| BoilingPt = 232-234 °C}}
}}
}} }}

Revision as of 13:31, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 458667545 of page Safrole with values updated to verified values.
Safrole
Names
IUPAC name 5-(2-propenyl)-1,3-benzodioxole
Other names 5-allylbenzodioxole; 3,4-methylenedioxyphenyl-2-propene
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
KEGG
InChI
  • InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2Key: ZMQAAUBTXCXRIC-UHFFFAOYSA-N
  • InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2Key: ZMQAAUBTXCXRIC-UHFFFAOYAD
SMILES
  • C=CCc1ccc2OCOc2c1
Properties
Chemical formula C10H10O2
Molar mass 162.19 g/mol
Density 1.096 g/cm
Melting point 11 °C (52 °F; 284 K)
Boiling point 232-234 °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
  1. Merck Index, 11th Edition, 8287