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Revision as of 18:17, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 465068301 of page 4-Methyl-1-pentanol for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 18:17, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 408393026 of page 4-Methyl-2,5-methoxyphenylcyclopropylamine for the Chem/Drugbox validation project (updated: '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
⚫ | verifiedrevid = 408391714
| Watchedfields = changed
| ImageFile1 = DMCPA.png
⚫ | verifiedrevid = 455115865
| ImageSize1 = 200px
| Name = 4-Methyl-1-pentanol
| ImageFile2 = DMCPA-3d-sticks.png
| ImageFile = 4-methyl-1-pentanol.PNG
| ImageSize = | ImageSize2 = 200px
| IUPACName = 2-(2,5-Dimethoxy-4-methylphenyl)cyclopropanamine
| ImageName =
| OtherNames =
| IUPACName = 4-Methyl-1-pentanol
| OtherNames = 4-Methylpentan-1-ol, isohexyl alcohol
| Reference = <ref name="hand">
{{Citation
| last = Lide
| first = David R.
| author-link =
| last2 =
| first2 =
| author2-link =
| publication-date =
| date =
| year = 1998
| title = Handbook of Chemistry and Physics
| edition = 87
| volume =
| series =
| publication-place = Boca Raton, FL
| place =
| publisher = CRC Press
| id =
| isbn = 0-8493-0594-2
| doi =
| oclc =
| pages = 3-398, 8-106
| url =
| accessdate =
}}</ref>
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 11793 | ChemSpiderID = 2285590
| InChI = 1/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3 | InChI = 1/C12H17NO2/c1-7-4-12(15-3)9(6-11(7)14-2)8-5-10(8)13/h4,6,8,10H,5,13H2,1-3H3
| InChIKey = HYVPPECPQRBJEQ-UHFFFAOYAN
| SMILES = OCCCC(C)C
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| InChIKey = PCWGTDULNUVNBN-UHFFFAOYAC
| ChEMBL = 13530
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3 | StdInChI = 1S/C12H17NO2/c1-7-4-12(15-3)9(6-11(7)14-2)8-5-10(8)13/h4,6,8,10H,5,13H2,1-3H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = PCWGTDULNUVNBN-UHFFFAOYSA-N | StdInChIKey = HYVPPECPQRBJEQ-UHFFFAOYSA-N
| CASNo = <!-- blanked - oldvalue: 68526-79-4 --> | CASNo = <!-- blanked - oldvalue: 69854-49-5 -->
⚫ | PubChem = 3017965
⚫ | CASNo_Ref = {{cascite|correct|??}}=
| SMILES = O(c1c(cc(OC)c(c1)C2CC2N)C)C
| RTECS =
⚫ }}
| EINECS =
⚫ | PubChem =
⚫ }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| Formula = C<sub>6</sub>H<sub>14</sub>O | Formula = C<sub>12</sub>H<sub>17</sub>NO<sub>2</sub>
| MolarMass = 102.174 g/mol | MolarMass = 207.27 g/mol
| Appearance = colorless liquid | Appearance =
| Density = 0.8131 g/cm<sup>3</sup> at 20&nbsp;°C | Density =
| Solubility = 7.6 g/L
| SolubleOther = soluble in ], ]
| MeltingPt = | MeltingPt =
| BoilingPt = 151.9&nbsp;°C | BoilingPt =
| VaporPressure = | Solubility = }}
⚫ | Section3 = {{Chembox Hazards
}}
| MainHazards =
| Section3 = {{Chembox Structure
| Coordination =
| CrystalStruct =
}}
| Section4 = {{Chembox Thermochemistry
| DeltaHf =
| DeltaHc =
| Entropy =
| HeatCapacity =
}}
⚫ | Section7 = {{Chembox Hazards
| ExternalMSDS =
| EUIndex =
| NFPA-H =
| NFPA-F =
| NFPA-R =
| RPhrases =
| SPhrases =
| FlashPt = | FlashPt =
| Autoignition = | Autoignition = }}
| ExploLimits =
| LD50 =
}}
| Section8 = {{Chembox Related
| OtherCpds = ]
}}
}} }}

Revision as of 18:17, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 408393026 of page 4-Methyl-2,5-methoxyphenylcyclopropylamine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 2-(2,5-Dimethoxy-4-methylphenyl)cyclopropanamine
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C12H17NO2/c1-7-4-12(15-3)9(6-11(7)14-2)8-5-10(8)13/h4,6,8,10H,5,13H2,1-3H3Key: HYVPPECPQRBJEQ-UHFFFAOYSA-N
  • InChI=1/C12H17NO2/c1-7-4-12(15-3)9(6-11(7)14-2)8-5-10(8)13/h4,6,8,10H,5,13H2,1-3H3Key: HYVPPECPQRBJEQ-UHFFFAOYAN
SMILES
  • O(c1c(cc(OC)c(c1)C2CC2N)C)C
Properties
Chemical formula C12H17NO2
Molar mass 207.27 g/mol
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