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

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Revision as of 17:32, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{chembox}} taken from revid 472552975 of page 2-Pyridone for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 17:32, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{chembox}} taken from revid 458453695 of page 2-Pyridylethylamine for the Chem/Drugbox validation project (updated: 'ChEBI').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
			\| Verifiedfields = changed
	\| verifiedrevid = 443315262
			\| Watchedfields = changed
	\|Name = 2-Pyridone
			\| verifiedrevid = 456500168
	\|ImageFile = 2-pyridone.svg
			\| ImageFile = 2-Pyridylethylamine.png
	\|ImageName = 2-Pyridone
			\| ImageFile_Ref = {{Chemboximage\|correct\|??}}
	\|IUPACName = 2-Pyridone
			\| ImageName = Kekulé, skeletal formula of 2-pyridylethylamine
	\|OtherNames = 2(1H)-Pyridinone,<br />2(1H)-Pyridone,<br />1-H-Pyridine-2-one,<br />1,2 Dihydro-2-oxopyridine,<br />1H-2-Pyridone, 2-Oxopyridone,<br />2-Pyridinol, 2-Hydroxypyridine
			\| IUPACName = 2-Pyridin-2-ylethanamine<ref>{{PubChem\|75919}}</ref>
	\|Section1 = {{Chembox Identifiers
			\| OtherNames = 2-(2-Pyridyl)ethanamine{{Citation needed\|date = October 2011}}
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| Section1 = {{Chembox Identifiers
	\| ChEBI = 16540
	\| ~~SMILES~~ = ~~Oc1cccnc1~~		\| CASNo = 2706-56-1
	\| ~~ChemSpiderID_Ref~~ = {{~~chemspidercite~~\|correct\|~~chemspider~~}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| ~~ChemSpiderID~~ = ~~8537~~		\| PubChem = 75919
			\| PubChem_Ref = {{Pubchemcite\|correct\|pubchem}}
	\| InChI = 1/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H
			\| ChemSpiderID = 68424
	\| InChIKey = GRFNBEZIAWKNCO-UHFFFAOYAT
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| InChI1 = 1/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
			\| EINECS = 220-295-1
	\| InChIKey1 = UBQKCCHYAOITMY-UHFFFAOYAK
			\| UNNumber = 2735
	\| SMILES1 = c1ccc(=O)c1
			\| MeSHName = 2-(2-Aminoethyl)pyridine
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = <!-- blanked - oldvalue: 147599 -->
	\| ChEMBL = 662
	\| ~~StdInChI_Ref~~ = {{~~stdinchicite~~\|~~correct~~\|~~chemspider~~}}		\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
			\| ChEMBL = 32813
	\| StdInChI = 1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
	\| ~~StdInChIKey_Ref~~ = {{~~stdinchicite~~\|correct\|~~chemspider~~}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| IUPHAR_ligand = 1197
	\| StdInChIKey = UBQKCCHYAOITMY-UHFFFAOYSA-N
			\| Beilstein = 111208
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| SMILES = NCCc1ccccn1
	\| CASNo = 142-08-5
			\| SMILES1 = NCCC1=CC=CC=N1
	\|RTECS = UV1144050
			\| StdInChI = 1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2
	}}
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\|Section2 = {{Chembox Properties
			\| InChI = 1/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2
	\|Formula = C<sub>5</sub>H<sub>5</sub>NO
			\| StdInChIKey = XPQIPUZPSLAZDV-UHFFFAOYSA-N
	\|MolarMass = 95.10 g/mol
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\|Appearance = Colourless crystalline solid
			\| InChIKey = XPQIPUZPSLAZDV-UHFFFAOYAY
	\|Density = 1.39 g/cm³, solid
	\|Solvent = other solvents
	\|SolubleOther = Soluble in ],<br />], ]
	\|MeltingPt = 107.8 °C (381.0 K)
	\|BoilingPt = 280 °C (553.2 K) decomposition
	\|pKa = 11.65
	\|pKb =
	\|LambdaMax = 293 nm (ε 5900, H<sub>2</sub>O soln)
	}}
	\|Section3 = {{Chembox Structure
	\|MolShape = planar
	\|CrystalStruct = ]
	\|Dipole = 4.26 ]
	}}
	\|Section7 = {{Chembox Hazards
	\|ExternalMSDS =
	\|MainHazards = irritating
	\|NFPA-H = 2
	\|NFPA-F = 1
	\|NFPA-R =
	\|FlashPt = 210 °C
	\|RPhrases = {{R36}} {{R37}} {{R38}}
	\|SPhrases = {{S26}} {{S37/39}}
	}}		}}
	\|~~Section8~~ = {{Chembox ~~Related~~		\| Section2 = {{Chembox Properties
			\| C=7\|H=10\|N=2
	\|OtherAnions = 2-Pyridinolate
			\| ExactMass = 122.084398330 g mol<sup>-1</sup>
	\|OtherCations = 2-Hydroxypyridinium-ion
			\| Density = 1.021 g cm<sup>-3</sup>
	\|Function = ]s
			\| BoilingPtK = 366
	\|OtherFunctn = ], ], ],<br />], ]
			\| Boiling_notes = at 1.6 kPa
	\|OtherCpds = ], ], ],<br />], ]
			\| LogP = -0.11
			\| RefractIndex = 1.536
			}}
			\| Section3 = {{Chembox Hazards
			\| GHSPictograms = {{GHS exclamation mark}}
			\| GHSSignalWord = '''WARNING'''
			\| HPhrases = {{H-phrases\|315\|319\|335}}
			\| PPhrases = {{P-phrases\|261\|305+351+338}}
			\| EUClass = {{Hazchem Xi}}
			\| RPhrases = {{R36/37/38}}
			\| SPhrases = {{S26}}, {{S36}}
			\| NFPA-F = 1
			\| NFPA-H = 1
			\| NFPA-R = 0
			\| FlashPt = 100 °C
	}}		}}
	}}		}}

Revision as of 17:32, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 458453695 of page 2-Pyridylethylamine with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
Kekulé, skeletal formula of 2-pyridylethylamine
IUPAC name 2-Pyridin-2-ylethanamine
Other names 2-(2-Pyridyl)ethanamine
Identifiers
CAS Number	2706-56-1
3D model (JSmol)	Interactive image Interactive image
Beilstein Reference	111208
ChEMBL	ChEMBL32813
ChemSpider	68424
EC Number	220-295-1
IUPHAR/BPS	1197
MeSH	2-(2-Aminoethyl)pyridine
PubChem CID	75919
UN number	2735
InChI InChI=1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2Key: XPQIPUZPSLAZDV-UHFFFAOYSA-N InChI=1/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2Key: XPQIPUZPSLAZDV-UHFFFAOYAY
SMILES NCCc1ccccn1 NCCC1=CC=CC=N1
Properties
Chemical formula	C₇H₁₀N₂
Molar mass	122.171 g·mol
Density	1.021 g cm
Boiling point	93 °C; 199 °F; 366 K
log P	-0.11
Refractive index (n_D)	1.536
Hazards
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315, H319, H335
Precautionary statements	P261, P305+P351+P338
NFPA 704 (fire diamond)	1 1 0
Flash point	100 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Chemical compound

CID 75919 from PubChem