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Revision as of 11:31, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 464302959 of page Phenibut for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 11:41, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464352380 of page Prenol 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 = 464213986
| Verifiedfields = changed
| Name = Prenol
⚫ | verifiedrevid = 464200255
| ImageFile1 = prenol structure.png
| IUPAC_name = 4-amino-3-phenyl-butyric acid
| ImageSize1 = 160px
| image = Phenibut.png
| ImageName1 = Skeletal formula of prenol

| ImageFile2 = Prenol-3D-balls.png
<!--Clinical data-->
| tradename = | ImageSize2 = 180px
| ImageName2 = Ball-and-stick model
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| IUPACName = 3-Methyl-2-buten-1-ol
| pregnancy_US = <!-- A / B / C / D / X -->
| OtherNames= 3,3-Dimethylallyl alcohol
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| Section1 = {{Chembox Identifiers
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| InChI = 1/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| legal_US = OTC
| StdInChI = 1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
| routes_of_administration = Oral

<!--Pharmacokinetic data-->
| elimination_half-life = 5 hours

<!--Identifiers-->
⚫ | CAS_number_Ref = {{cascite|changed|??}}
| CAS_number = <!-- blanked - oldvalue: 1078-21-3 -->
| ATC_prefix = none
⚫ | PubChem = 14113
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 13491
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 315818

<!--Chemical data-->
| C=10 | H=13 | N=1 | O=2
| molecular_weight = 179.216 g/mol
| smiles = O=C(O)CC(c1ccccc1)CN
| InChI = 1/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)
| InChIKey = DAFOCGYVTAOKAJ-UHFFFAOYAE
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = DAFOCGYVTAOKAJ-UHFFFAOYSA-N | StdInChIKey = ASUAYTHWZCLXAN-UHFFFAOYSA-N
| CASNo = 556-82-1
| synonyms = Fenibut, Phenybut, PhGABA
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| melting_point = 253<!--degrees C or F?-->
| EC-number = 209-141-4
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 10700
⚫ | PubChem = 11173
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 55MY0HM445
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 16019
| SMILES = OC\C=C(/C)C
}}
| Section2 = {{Chembox Properties
| Reference = <ref name="SIDS">{{SIDS-ref|id=556821|name=3-Methyl-2-buten-1-ol|date=May 2005}}.</ref>
| Formula = C<sub>5</sub>H<sub>10</sub>O
| MolarMass = 86.132 g/mol
| Density = 0.848 g/cm<sup>3</sup>
| MeltingPt = −59 °C (calculated)
| BoilingPt = approx. 142 °C
| Solubility = 17 g/100 ml (20 ºC)
| VaporPress = 3.17 hPa (25 ºC, extrapolated)
| LogP = 0.91
}}
| Section7 = {{Chembox Hazards
| Reference = <ref name="SIDS"/><ref>{{citation | title = HSNO Chemical Classification Information Database | url = http://www.ermanz.govt.nz/Chemicals/ChemicalDisplay.aspx?SubstanceID=13093 | publisher = New Zealand Environmental Risk Management Agency | accessdate = 2009-08-31}}.</ref>
| EUIndex = not listed
| GHSPictograms = {{GHS flame|Flam. Liq. 3}}{{GHS exclamation mark|Acte Tox. (oral) 4}}
| GHSSignalWord = WARNING
| HPhrases = {{H-phrases|226|302}}
| PPhrases = {{P-phrases|210|233|240|241|242|243|264|270 |301+312|303+361+353|330|370+378 |403+235|501}}
| FlashPt = 43.3 ºC (110 ºF)<ref group="note">BASF gives a value for the flash point of prenol of 51.5&nbsp;ºC (125&nbsp;ºF), which is used in the OECD Screening Information Data Set (SIDS): the difference in the two values does not alter the safety classification of prenol as a category&nbsp;3 flammable liquid (]) or class&nbsp;II combustible liquid (U.S., 29&nbsp;C.F.R §&nbsp;1910.106, ]).</ref>
}}
}} }}

Revision as of 11:41, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 464352380 of page Prenol with values updated to verified values.
Prenol
Skeletal formula of prenol
Ball-and-stick model
Names
IUPAC name 3-Methyl-2-buten-1-ol
Other names 3,3-Dimethylallyl alcohol
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
PubChem CID
UNII
InChI
  • InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3Key: ASUAYTHWZCLXAN-UHFFFAOYSA-N
  • InChI=1/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
SMILES
  • OC\C=C(/C)C
Properties
Chemical formula C5H10O
Molar mass 86.132 g/mol
Density 0.848 g/cm
Melting point −59 °C (calculated)
Boiling point approx. 142 °C
Solubility in water 17 g/100 ml (20 ºC)
log P 0.91
Hazards
GHS labelling:
Pictograms Flam. Liq. 3Acte Tox. (oral) 4
Signal word Warning
Hazard statements H226, H302
Precautionary statements P210, P233, P240, P241, P242, P243, P264, P270, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501
Flash point 43.3 ºC (110 ºF)
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
  1. ^ 3-Methyl-2-buten-1-ol (PDF), SIDS Initial Assessment Report, Geneva: United Nations Environment Programme, May 2005.
  2. HSNO Chemical Classification Information Database, New Zealand Environmental Risk Management Agency, retrieved 2009-08-31.


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