Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 19:49, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 473604028 of page Acetaminosalol for the Chem/Drugbox validation project (updated: 'ChEBI', 'CASNo').← Previous edit		Revision as of 19:49, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 473675323 of page Acetamiprid 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 = 443364053
	\| Verifiedfields = changed
			\|ImageFile=Acetamiprid Structural Formulae V.1.svg
⚫	\| ~~UNII_Ref~~ = {{~~fdacite~~\|correct\|~~FDA~~}}
		⚫	\|ImageSize=280px
	\| UNII = O3J7H54KMD
			\|IUPACName=''N''--''N'''-cyano-''N''-methyl-acetamidine
⚫	\| verifiedrevid = ~~456662081~~
			\|OtherNames= (1''E'')-''N''--''N'''-cyan-''N''-methylethanimidamid;
	\| ImageFile = Acetaminosalol .png
		⚫	\|Section1= {{Chembox Identifiers
	\| ImageFile_Ref = {{chemboximage\|correct\|??}}
			\| InChIKey = WCXDHFDTOYPNIE-RIYZIHGNBY
⚫	\| ImageSize = ~~244~~
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ImageName = Kekulé, skeletal formula of acetaminosalol
		⚫	\| ChemSpiderID = 184719
	\| IUPACName = (4-Acetamidophenyl) 2-hydroxybenzoate<ref>{{Cite web\|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1984\|title = salophen - PubChem Public Chemical Database\|work = The PubChem Project\|location = USA\|publisher = National Center for Biotechnology Information}}</ref>
		⚫	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
⚫	\| Section1 = {{Chembox Identifiers
		⚫	\| ChEMBL = 265941
	\| CASNo_Ref = {{cascite\|changed\|??}}
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| CASNo = <!-- blanked - oldvalue: 118-57-0 -->
			\| StdInChI = 1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+
	\| PubChem = 1984
	\| ~~PubChem_Ref~~ = {{~~Pubchemcite~~\|correct\|~~pubchem~~}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChIKey = WCXDHFDTOYPNIE-RIYZIHGNSA-N
⚫	\| ChemSpiderID = ~~1907~~
	\| ~~ChemSpiderID_Ref~~ = {{~~chemspidercite~~\|correct\|~~chemspider~~}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| ~~EINECS~~ = ~~204~~-~~261~~-3		\| CASNo = 135410-20-7
			\| InChI = 1/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+
⚫	\| MeSHName = ~~Salophen~~
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
⚫	\| ChEMBL = ~~92590~~
			\| ChEBI = 39164
⚫	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| SMILES=Clc1ncc(cc1)CN(\C(=N\C#N)C)C
	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
		⚫	\| MeSHName=acetamiprid
	\| ChEBI = <!-- blanked - oldvalue: 250620 -->
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| SMILES = CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1
			\| KEGG = C18507
	\| SMILES1 = CC(=O)NC1=CC=C(OC(=O)C2=CC=CC=C2O)C=C1
	\| StdInChI = 1S/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17)
⚫	\| ~~StdInChI_Ref~~ = {{~~stdinchicite~~\|correct\|chemspider}}
	\| InChI = 1/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17)
⚫	\| StdInChIKey = ~~TWIIVLKQFJBFPW~~-~~UHFFFAOYSA~~-N
⚫	\| ~~StdInChIKey_Ref~~ = {{stdinchicite\|correct\|chemspider}}
	\| InChIKey = TWIIVLKQFJBFPW-UHFFFAOYAL
⚫	}}
⚫	\| Section2 = {{Chembox Properties
	\| C=15\|N=1\|H=13\|O=4
	\| ExactMass = 271.084457909 g mol<sup>-1</sup>
⚫	\| Density = 1.~~327~~ g cm<sup>-3</sup>
	\| LogP = 2.562
	\| pKa = 7.874
	\| pKb = 6.123
⚫	}}
⚫	\| Section3 = {{Chembox Hazards
⚫	\| FlashPt = ~~241~~.9 °C
	}}		}}
		⚫	\|Section2= {{Chembox Properties
			\| Formula=C<sub>10</sub>H<sub>11</sub>ClN<sub>4</sub>
			\| Appearance=white powder
		⚫	\| Density= 1.17 g/cm<sup>3</sup>
			\| MeltingPtC=98.9
			\| Solubility at pH 7= 2.95x10<sup>3</sup>
		⚫	}}
		⚫	\|Section3= {{Chembox Hazards
		⚫	\| FlashPt=166.9 °C
		⚫	}}
	}}		}}

Revision as of 19:49, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 473675323 of page Acetamiprid with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name N--N'-cyano-N-methyl-acetamidine
Other names (1E)-N--N'-cyan-N-methylethanimidamid;
Identifiers
CAS Number	135410-20-7
3D model (JSmol)	Interactive image
ChEBI	CHEBI:39164
ChEMBL	ChEMBL265941
ChemSpider	184719
KEGG	C18507
MeSH	acetamiprid
InChI InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+Key: WCXDHFDTOYPNIE-RIYZIHGNSA-N InChI=1/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+Key: WCXDHFDTOYPNIE-RIYZIHGNBY
SMILES Clc1ncc(cc1)CN(\C(=N\C#N)C)C
Properties
Chemical formula	C₁₀H₁₁ClN₄
Appearance	white powder
Density	1.17 g/cm
Melting point	98.9 °C (210.0 °F; 372.0 K)
Hazards
Flash point	166.9 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound