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

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Revision as of 11:02, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 464340430 of page Methamphetamine for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'StdInChI', 'StdInChIKey').← Previous edit		Revision as of 11:03, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 464327279 of page Methane for the Chem/Drugbox validation project (updated: 'KEGG').Next edit →
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	{{ambox \| text = This page contains a copy of the infobox ({{tl\|~~drugbox~~}}) 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.}}
	{{~~Drugbox~~		{{Chembox
	\| Verifiedfields = changed		\| Verifiedfields = changed
			\| Watchedfields = changed
	\| verifiedrevid = 464193805
			\| verifiedrevid = 455379140
	\| IUPAC_name = ''N''-methyl-1-phenylpropan-2-amine
	\| ~~image~~ = ~~Methamphetamine~~.svg		\| ImageFile = Methane-2D-dimensions.svg
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\| image2 = Methamphetamine-3d-CPK.png \| width=200
			\| ImageSize = 160
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| ImageName = Stereo, skeletal formula of methane with some measurements added
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| ImageFileL1 = Methane-CRC-MW-3D-balls.png
	\| UNII = 44RAL3456C
			\| ImageFileL1_Ref = {{chemboximage\|correct\|??}}
	\| InChI = 1/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
			\| ImageNameL1 = Ball and stick model of methane
	\| InChIKey = MYWUZJCMWCOHBA-UHFFFAOYAT
			\| ImageFileR1 = Methane-3D-space-filling.svg
	\| StdInChI_Ref = {{stdinchicite\|changed\|chemspider}}
			\| ImageFileR1_Ref = {{chemboximage\|correct\|??}}
	\| StdInChI = 1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
			\| ImageNameR1 = Spacefill model of methane
	\| StdInChIKey_Ref = {{stdinchicite\|changed\|chemspider}}
			\| IUPACName = {{Unbulleted list\|Methane<ref name="methane (CHEBI:16183)">{{Cite web\|title=methane (CHEBI:16183)\|url=https://www.ebi.ac.uk/chebi/searchId.do?chebiId=16183\|work=Chemical Entities of Biological Interest\|publisher=European Bioinformatics Institute\|accessdate=10 October 2011\|location=UK\|date=17 October 2009\|at=Main}}</ref> ''(substitutive)''\|Tetrahydridocarbon<ref name="methane (CHEBI:16183)" /> ''(additive)''}}
	\| StdInChIKey = MYWUZJCMWCOHBA-VIFPVBQESA-N
			\| OtherNames = {{Unbulleted list\|Carbon Tetrahydride{{Citation needed\|date=November 2011}}\|Marsh gas<ref name=webbook>{{cite web\|editor1-last=Linstrom\|editor1-first=P.J.\|editor2-last=Mallard\|editor2-first=W.G.\| title=Methane\|url=http://webbook.nist.gov/cgi/inchi/InChI%3D1S/CH4/h1H4\|work=NIST Chemistry WebBook, NIST Standard Reference Database Number 69\|publisher=National Institute of Standards and Technology\|accessdate=4 December 2011\|year=2011}}</ref>\|Methyl hydride<ref name=webbook/>}}
	\| CAS_number_Ref = {{cascite\|correct\|??}}
			\| Section1 = {{Chembox Identifiers
	\| CAS_number=537-46-2
			\| CASNo = 74-82-8
	\| ATC_prefix=N06
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| ATC_suffix=BA03
			\| PubChem = 297
	\| ATC_supplemental=
	\| ~~ChEBI_Ref~~ = {{~~ebicite~~\|correct\|~~EBI~~}}		\| PubChem_Ref = {{Pubchemcite\|correct\|Pubchem}}
	\| ~~ChEBI~~ = ~~6809~~		\| ChemSpiderID = 291
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| PubChem=1206
			\| EINECS = 200-812-7
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ~~ChEMBL~~ = ~~1201201~~		\| UNNumber = 1971
			\| KEGG = <!-- blanked - oldvalue: C01438 -->
	\| ChemSpiderID_Ref = {{chemspidercite\|changed\|chemspider}}
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| ChemSpiderID = 10379
			\| MeSHName = Methane
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| ChEBI = 16183
	\| DrugBank=DB01577
	\| ~~KEGG_Ref~~ = {{~~keggcite~~\|correct\|~~kegg~~}}		\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| ~~KEGG~~ = ~~D08187~~		\| ChEMBL = 17564
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
	\| C=10 \| H=15 \| N=1
			\| RTECS = PA1490000
	\| molecular_weight = 149.233 g/mol
			\| Beilstein = 1718732
	\| smiles = N(C(Cc1ccccc1)C)C
			\| Gmelin = 59
	\| synonyms = Desoxyephedrine<br>Methamfetamine<br>Pervitin<br>Anadrex<br>Methedrine<br>Methylamphetamine<br>Syndrox<br>Desoxyn
			\| 3DMet = B01450
	\| bioavailability= 62.7% oral; 79% nasal; 90.3% smoked; 99% rectally; 100% IV
			\| SMILES = C
	\| metabolism = ]
			\| StdInChI = 1S/CH4/h1H4
	\| elimination_half-life= 9–12 hours<ref name="Schep"/>
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| excretion = ]
			\| StdInChIKey = VNWKTOKETHGBQD-UHFFFAOYSA-N
	\| pregnancy_AU =
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| pregnancy_US = C
			}}
	\| pregnancy_category =
			\| Section2 = {{Chembox Properties
	\| legal_AU = S8
	\| ~~legal_CA~~ = ~~Schedule~~ I		\| C = 1
	\| ~~legal_UK~~ =		\| H = 4
			\| ExactMass = 16.031300128 g mol<sup>−1</sup>
	\| legal_US = Schedule II
			\| Appearance = Colorless gas
	\| legal_status = Class A<small>(])</small><br>Schedule 5<small>(])</small><br>Injectable:Class A, Oral: A<small>(])</small>
			\| Odor = Odorless
	\| routes_of_administration= ''Medical'': Ingestion<br><br>''Recreational'': Ingestion, Intravenous, Insufflation, Inhalation, Suppository
			\| Density = 655.6 μg cm<sup>−3</sup>
			\| MeltingPtK = 86
			\| BoilingPtK = 111
			\| Solubility = 35 mg dm<sup>−3</sup> (at 17 °C)
			\| LogP = 1.09
			}}
			\| Section3 = {{Chembox Thermochemistry
			\| DeltaHf = −74.87 kJ mol<sup>−1</sup>
			\| DeltaHc = −891.1–−890.3 kJ mol<sup>−1</sup>
			\| Entropy = 186.25 J K<sup>−1</sup> mol<sup>−1</sup>
			\| HeatCapacity = 35.69 J K<sup>−1</sup> mol<sup>−1</sup>
			}}
			\| Section4 = {{Chembox Hazards
			\| GHSPictograms = {{GHS flame}}
			\| GHSSignalWord = '''DANGER'''
			\| HPhrases = {{H-phrases\|220\|280}}
			\| PPhrases = {{P-phrases\|210\|410+403}}
			\| EUIndex = 601-001-00-4
			\| EUClass = {{Hazchem F+}}
			\| RPhrases = {{R12}}
			\| SPhrases = {{S2}}, {{S9}}, {{S16}}, {{S33}}
			\| NFPA-H = 1
			\| NFPA-F = 4
			\| NFPA-R = 0
			\| FlashPt = −188 °C
			\| Autoignition = 537 °C
			\| ExploLimits = 5–15% <ref name=msds>{{cite web\|title=Safety Data Sheet: Methane\|url=http://www.chemadvisor.com/Matheson/database/msds/00244226000800003.PDF\|publisher=Matheson Tri-Gas\|accessdate=4 December 2011\|author=Matheson Tri-Gas\|authorlink=Matheson (compressed gas & equipment)\|date=Dec 4, 2009}}</ref>
			}}
			\| Section5 = {{Chembox Related
			\| Function = ]s
			\| OtherFunctn = ]<br />
			]
			\| OtherCpds = ]<br />
			]<br />
			]<br />
			]<br />
			]
			}}
	}}		}}

Revision as of 11:03, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 464327279 of page Methane with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

Stereo, skeletal formula of methane with some measurements added

Names

IUPAC name

Methane (substitutive)
Tetrahydridocarbon (additive)

Other names

Carbon Tetrahydride
Marsh gas
Methyl hydride

Identifiers

CAS Number

74-82-8

3D model (JSmol)

Interactive image

Beilstein Reference

1718732

ChEBI

CHEBI:16183

ChEMBL

ChEMBL17564

ChemSpider

EC Number

200-812-7

PubChem CID

PA1490000

UN number

1971

InChI

InChI=1S/CH4/h1H4Key: VNWKTOKETHGBQD-UHFFFAOYSA-N

SMILES

Properties

Chemical formula

CH₄

Molar mass

16.043 g·mol

Appearance

Colorless gas

Odor

Odorless

Density

655.6 μg cm

Melting point

−187.2 °C; −304.9 °F; 86.0 K

Boiling point

−162 °C; −260 °F; 111 K

Solubility in water

35 mg dm (at 17 °C)

log P

1.09

Thermochemistry

Heat capacity (C)

35.69 J K mol

Std molar
entropy (S₂₉₈)

186.25 J K mol

Std enthalpy of
formation (Δ_fH₂₉₈)

−74.87 kJ mol

Std enthalpy of
combustion (Δ_cH₂₉₈)

−891.1–−890.3 kJ mol

Hazards

GHS labelling:

Pictograms

Signal word

Danger

Hazard statements

H220, H280

Precautionary statements

P210, P410+P403

NFPA 704 (fire diamond)

1 4 0

Flash point

−188 °C

Explosive limits

5–15%

Related compounds

Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa).

N verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound

^ Linstrom, P.J.; Mallard, W.G., eds. (2011). "Methane". NIST Chemistry WebBook, NIST Standard Reference Database Number 69. National Institute of Standards and Technology. Retrieved 4 December 2011.
^ "methane (CHEBI:16183)". Chemical Entities of Biological Interest. UK: European Bioinformatics Institute. 17 October 2009. Main. Retrieved 10 October 2011.
Matheson Tri-Gas (Dec 4, 2009). "Safety Data Sheet: Methane" (PDF). Matheson Tri-Gas. Retrieved 4 December 2011.