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

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Revision as of 18:06, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 443351425 of page 4-Aminoacridine for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 18:06, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 477210444 of page 4-Aminobenzoic_acid 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 = ~~443350146~~		\| verifiedrevid = 443654329
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\|ImageFile=4-aminoacridine.png
			\| ImageFile=4-Aminobenzoic acid.svg
	\|ImageSize=		\|ImageSize=100px
	\|IUPACName=acridin-4-amine
			\|IUPACName=4-Aminobenzoic acid
	\|OtherNames=
			\|OtherNames=''para''-Aminobenzoic acid; ''p''-Aminobenzoic acid; PABA; Vitamin B<sub>x</sub>; Bacterial vitamin H<sup>1</sup>
	\|Section1={{Chembox Identifiers		\|Section1= {{Chembox Identifiers
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
⚫	\| ChemSpiderID = ~~21243528~~
		⚫	\| UNII = TL2TJE8QTX
	\| InChI = 1/C13H10N2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-8H,14H2
		⚫	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| InChIKey = QWAGALBSTFENEE-UHFFFAOYAY
			\| KEGG = D02456
	\| SMILES1 = Nc2cccc1cc3ccccc3nc12
			\| InChI = 1/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
⚫	\| ~~ChEMBL_Ref~~ = {{~~ebicite~~\|correct\|~~EBI~~}}
			\| InChIKey = ALYNCZNDIQEVRV-UHFFFAOYAH
⚫	\| ChEMBL = ~~147934~~
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
		⚫	\| ChEMBL = 542
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C13H10N2~~/~~c14-11~~-6-3-5~~-10-8-9~~-4-~~1-2-~~7~~-12~~(9)~~15-13(~~10~~)11~~/h1-8H,~~14H2~~		\| StdInChI = 1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~QWAGALBSTFENEE~~-UHFFFAOYSA-N		\| StdInChIKey = ALYNCZNDIQEVRV-UHFFFAOYSA-N
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CASNo = <!-- blanked - oldvalue: 578-07-4 -->
	\| ~~PubChem~~=~~11353~~		\| CASNo=150-13-0
			\| PubChem=978
⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| UNII = ~~16S346L1OM~~
		⚫	\| ChemSpiderID = 953
	\| SMILES=C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)N
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
⚫	}}
			\| ChEBI = 30753
⚫	\|Section2={{Chembox Properties
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| Formula=C<sub>13</sub>H<sub>10</sub>N<sub>2</sub>
			\| DrugBank = DB02362
	\| MolarMass=194.23 g/mol
			\| SMILES = O=C(O)c1ccc(N)cc1
⚫	\| Appearance=
		⚫	}}
⚫	\| Density=
		⚫	\|Section2= {{Chembox Properties
⚫	\| MeltingPt=
			\| C=7\|H=7\|N=1\|O=2
		⚫	\| Appearance= White-grey crystals
		⚫	\| Density=1.374 g/mL
		⚫	\| MeltingPt=187–189 °C
	\| BoilingPt=		\| BoilingPt=
	\| Solubility=		\| Solubility=1 g/170 mL (25 °C)<br/>1 g/90 mL (90 °C)
	}}		}}
	\|Section3={{Chembox Hazards		\|Section3= {{Chembox Hazards
	\| MainHazards=		\| MainHazards=
	\| FlashPt=		\| FlashPt=

Revision as of 18:06, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 477210444 of page 4-Aminobenzoic_acid with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 4-Aminobenzoic acid
Other names para-Aminobenzoic acid; p-Aminobenzoic acid; PABA; Vitamin B_x; Bacterial vitamin H
Identifiers
CAS Number	150-13-0
3D model (JSmol)	Interactive image
ChEBI	CHEBI:30753
ChEMBL	ChEMBL542
ChemSpider	953
DrugBank	DB02362
KEGG	D02456
PubChem CID	978
UNII	TL2TJE8QTX
InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N InChI=1/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)Key: ALYNCZNDIQEVRV-UHFFFAOYAH
SMILES O=C(O)c1ccc(N)cc1
Properties
Chemical formula	C₇H₇NO₂
Molar mass	137.138 g·mol
Appearance	White-grey crystals
Density	1.374 g/mL
Melting point	187–189 °C
Solubility in water	1 g/170 mL (25 °C) 1 g/90 mL (90 °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