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Revision as of 14:27, 5 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 463684746 of page Prontosil for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CAS_number').← Previous edit Revision as of 14:27, 5 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 462614815 of page Propadiene for the Chem/Drugbox validation project (updated: '').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
⚫ | verifiedrevid = 406949009
| Verifiedfields = changed
| ImageFileL1 = Allene.png
⚫ | verifiedrevid = 398692294
⚫ | ImageFileL1_Ref = {{chemboximage|correct|??}}
| IUPAC_name = 4-benzenesulfonamide
| ImageSizeL1 = 121
| image = Prontosil Structure.png
| ImageNameL1 = Stereo structural formula of propadiene with explicit hydrogens

| ImageFileR1 = Allene3D.png
<!--Clinical data-->
| ImageFileR1_Ref = {{Chemboximage|correct|??}}
| tradename =
| ImageSizeR1 = 121
| pregnancy_category =
| ImageNameR1 = Spacefill model of propadiene
| legal_status =
| ImageFile2 = Allene-CRC-IR-3D-balls.png
| routes_of_administration = ]
| ImageFile2_Ref = {{Chemboximage|correct|??}}

| ImageSize2 = 160
<!--Pharmacokinetic data-->
| ImageName2 = Ball and stick model of propadiene
| bioavailability =
| protein_bound = | IUPACName = Allene
| SystematicName = <!-- Propa-1,2-diene (substitutive) OR dimethylenecarbon (additive) -->
| metabolism =
| Section1 = {{Chembox Identifiers
| elimination_half-life =
| CASNo = 463-49-0

| CASNo_Ref = {{cascite|correct|CAS}}
<!--Identifiers-->
| PubChem = 10037
⚫ | CAS_number_Ref = {{cascite|correct|??}}
| PubChem_Ref = {{Pubchemcite|correct|PubChem}}
| CAS_number = <!-- blanked - oldvalue: 103-12-8 -->
⚫ | ChemSpiderID = 9642
| ATC_prefix =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ATC_suffix =
| EINECS = 207-335-3
| ATC_supplemental =
| PubChem = 66895 | UNNumber = 2200
| MeSHName = Propadiene
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| ChEBI_Ref = {{ebicite|correct|EBI}}
| DrugBank =
| ChEBI = 37601
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChEMBL = 116960
⚫ | ChemSpiderID = 16736190
| ChEMBL_Ref = {{ebicite|changed|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| Beilstein = 1730774
| ChEMBL = <!-- blanked - oldvalue: 488279 -->
| Gmelin = 860
| C=12 | H=13 | N=5 | O=2 | S=1
| SMILES = C=C=C
| molecular_weight = 291.33 g/mol
| SMILES1 = C(=C)=C
| smiles = NS(=O)(=O)c2ccc(/N=N/c1ccc(N)cc1N)cc2
| StdInChI = 1S/C3H4/c1-3-2/h1-2H2
| InChI = 1/C12H13N5O2S/c13-8-1-6-12(11(14)7-8)17-16-9-2-4-10(5-3-9)20(15,18)19/h1-7H,13-14H2,(H2,15,18,19)
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| InChIKey = ABBQGOCHXSPKHJ-UHFFFAOYAM
⚫ | StdInChIKey = IYABWNGZIDDRAK-UHFFFAOYSA-N
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C12H13N5O2S/c13-8-1-6-12(11(14)7-8)17-16-9-2-4-10(5-3-9)20(15,18)19/h1-7H,13-14H2,(H2,15,18,19)
}}
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| Section2 = {{Chembox Properties
⚫ | StdInChIKey = ABBQGOCHXSPKHJ-UHFFFAOYSA-N
| C = 3
| H = 4
| ExactMass = 40.031300128 g mol<sup>-1</sup>
| Appearance = Colorless gas
| MeltingPtC = -136
| BoilingPtC = -34
| LogP = 1.45}}
| Section3 = {{Chembox Hazards
| ExternalMSDS =
| EUClass = {{Hazchem F+}}
| RPhrases = {{R12}}
| SPhrases = {{S9}}, {{S16}}, {{S33}}
| NFPA-H = 0
| NFPA-F = 4
| NFPA-R = 3
| ExploLimits = 13%}}
}} }}

Revision as of 14:27, 5 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 462614815 of page Propadiene with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Stereo structural formula of propadiene with explicit hydrogens
Stereo structural formula of propadiene with explicit hydrogens
Spacefill model of propadiene
Spacefill model of propadiene
Ball and stick model of propadiene
Ball and stick model of propadiene
Names
IUPAC name Allene
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1730774
ChEBI
ChEMBL
ChemSpider
EC Number
  • 207-335-3
Gmelin Reference 860
MeSH Propadiene
PubChem CID
UN number 2200
InChI
  • InChI=1S/C3H4/c1-3-2/h1-2H2Key: IYABWNGZIDDRAK-UHFFFAOYSA-N
SMILES
  • C=C=C
  • C(=C)=C
Properties
Chemical formula C3H4
Molar mass 40.065 g·mol
Appearance Colorless gas
Melting point −136 °C (−213 °F; 137 K)
Boiling point −34 °C (−29 °F; 239 K)
log P 1.45
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 0: Exposure under fire conditions would offer no hazard beyond that of ordinary combustible material. E.g. sodium chlorideFlammability 4: Will rapidly or completely vaporize at normal atmospheric pressure and temperature, or is readily dispersed in air and will burn readily. Flash point below 23 °C (73 °F). E.g. propaneInstability 3: Capable of detonation or explosive decomposition but requires a strong initiating source, must be heated under confinement before initiation, reacts explosively with water, or will detonate if severely shocked. E.g. hydrogen peroxideSpecial hazards (white): no code
0 4 3
Explosive limits 13%
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
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