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Revision as of 19:49, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,045 edits Saving copy of the {{chembox}} taken from revid 471479950 of page Acetamide for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 19:49, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,045 edits Saving copy of the {{chembox}} taken from revid 473604028 of page Acetaminosalol for the Chem/Drugbox validation project (updated: 'ChEBI', 'CASNo').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 = 443363765
| ImageFileL1=Acetamide skeletal.svg
| ImageSizeL1=100px
| ImageFileR1=Acetamide-3D-balls.png
| ImageSizeR1=120px
| IUPACName=Acetamide<br />Ethanamide
| OtherNames = acetic acid amide
| Section1 = {{Chembox Identifiers
| Abbreviations =
| UNII_Ref = {{fdacite|correct|FDA}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 8XOE1JSO29 | UNII = O3J7H54KMD
| verifiedrevid = 456662081
| InChIKey = DLFVBJFMPXGRIB-UHFFFAOYAC
| ImageFile = Acetaminosalol .png
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ImageFile_Ref = {{chemboximage|correct|??}}
| ChEMBL = 16081
| ImageSize = 244
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| ImageName = Kekulé, skeletal formula of acetaminosalol
| StdInChI = 1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
| 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>
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| Section1 = {{Chembox Identifiers
| StdInChIKey = DLFVBJFMPXGRIB-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|changed|??}}
| CASNo=60-35-5
| CASNo = <!-- blanked - oldvalue: 118-57-0 -->
| CASNo_Ref = {{cascite|correct|CAS}}
| EINECS = | PubChem = 1984
| PubChem_Ref = {{Pubchemcite|correct|pubchem}}
| PubChem = 178
| ChemSpiderID = 1907
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 173
| EINECS = 204-261-3
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB02736 | MeSHName = Salophen
| SMILES = O=C(N)C | ChEMBL = 92590
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| InChI = 1/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
| ChEBI_Ref = {{ebicite|changed|EBI}}
| RTECS =
| ChEBI = <!-- blanked - oldvalue: 250620 -->
| MeSHName =
| SMILES = CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1
| ChEBI_Ref = {{ebicite|correct|EBI}}
| SMILES1 = CC(=O)NC1=CC=C(OC(=O)C2=CC=CC=C2O)C=C1
| ChEBI = 27856
| 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)
| KEGG_Ref = {{keggcite|correct|kegg}}
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| KEGG = C06244
| 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)
| ATCCode = }}
| StdInChIKey = TWIIVLKQFJBFPW-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| InChIKey = TWIIVLKQFJBFPW-UHFFFAOYAL
}}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=2|H=5|N=1|O=1 | C=15|N=1|H=13|O=4
| ExactMass = 271.084457909 g mol<sup>-1</sup>
| MolarMass=
| Density = 1.327 g cm<sup>-3</sup>
| Appearance =
| LogP = 2.562
| Density=1.16 g/cm³
| pKa = 7.874
| MeltingPtCL=79
| pKb = 6.123
| MeltingPtCH=81
}}
| BoilingPtC=222
| Section3 = {{Chembox Hazards
| Solubility=2 g/mL<ref>'']'', 11th Edition, '''36'''</ref>
| FlashPt = 241.9 °C
| SolubleOther =
}}
| Solvent = Water
| pKa =
| pKb =
| IsoelectricPt =
| SpecRotation =
| RefractIndex =
| Viscosity =
| Dipole = }}
| Section3 = {{Chembox Structure
| CrystalStruct =
| Coordination =
| MolShape =
| Dipole = }}
| Section4 = {{Chembox Thermochemistry
| DeltaHf =
| DeltaHc =
| Entropy =
| HeatCapacity = }}
| Section5 = {{Chembox Pharmacology
| Bioavail =
| Metabolism =
| HalfLife =
| Excretion =
| PregCat =
| AdminRoutes = }}
| Section6 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| ExplosiveV =
| REFactor = }}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| EUClass = Harmful ('''Xn''')<br />{{Carc3}}
| EUIndex = 616-022-00-4
| MainHazards =
| NFPA-H = 3
| NFPA-F = 1
| NFPA-R = 1
| NFPA-O = &nbsp;
| RPhrases = {{R40}}
| SPhrases = {{S2}} {{S36/37}}
| RSPhrases =
| FlashPt =
| Autoignition =
| ExploLimits =
| PEL =
| ExternalMSDS = }}
| Section8 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunctn =
| Function =
| OtherCpds = }}
}} }}

Revision as of 19:49, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 473604028 of page Acetaminosalol with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Kekulé, skeletal formula of acetaminosalol
Kekulé, skeletal formula of acetaminosalol
Names
IUPAC name (4-Acetamidophenyl) 2-hydroxybenzoate
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
EC Number
  • 204-261-3
MeSH Salophen
PubChem CID
InChI
  • InChI=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)Key: TWIIVLKQFJBFPW-UHFFFAOYSA-N
  • 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)Key: TWIIVLKQFJBFPW-UHFFFAOYAL
SMILES
  • CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1
  • CC(=O)NC1=CC=C(OC(=O)C2=CC=CC=C2O)C=C1
Properties
Chemical formula C15H13NO4
Molar mass 271.272 g·mol
Density 1.327 g cm
log P 2.562
Acidity (pKa) 7.874
Basicity (pKb) 6.123
Hazards
Flash point 241.9 °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
Tracking categories (test):
Chemical compound
  1. "salophen - PubChem Public Chemical Database". The PubChem Project. USA: National Center for Biotechnology Information.
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