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

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Revision as of 15:36, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 456508896 of page 2-Aminoisobutyric_acid for the Chem/Drugbox validation project (updated: 'DrugBank').← Previous edit		Revision as of 15:37, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 443145388 of page 2-Aminoethoxydiphenyl_borate 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
	\| ~~Verifiedfields~~ = changed		\| Watchedfields = changed
	\| verifiedrevid = ~~456507634~~		\| verifiedrevid = 413107977
		⚫	\| ImageFile = 2-APB.png
	\| Name = 2-Aminoisobutyric acid
			\| ImageSize = 200px
⚫	\| ImageFile = 2-~~aminoisobutyric acid~~.~~svg~~
	\| IUPACName = 2-~~Amino-2-methylpropanoic acid~~		\| IUPACName = 2-Diphenylboranyloxyethanamine
	\| OtherNames = α-~~Aminoisobutyric~~ ~~acid<br/>2-Methylalanine~~		\| OtherNames = 2-Aminoethyl diphenyl borate
			\| Abbreviations = 2-APB
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~5891~~		\| ChemSpiderID = 1540
			\| InChI = 1/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| InChIKey = BLZVCIGGICSWIG-UHFFFAOYAJ
	\| KEGG = C03665
			\| SMILES1 = O(B(c1ccccc1)c2ccccc2)CCN
	\| InChI = 1/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
	\| ~~ChEBI_Ref~~ = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ~~ChEBI~~ = ~~27971~~		\| ChEMBL = 169233
	\| SMILES = O=C(O)C(N)(C)C
	\| InChIKey = FUOOLUPWFVMBKG-UHFFFAOYAD
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C4H9NO2~~/c1-4(~~2,5)~~3(6)7/~~h5H2~~,1-~~2H3~~,~~(H,6,7)~~		\| StdInChI = 1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~FUOOLUPWFVMBKG~~-UHFFFAOYSA-N		\| StdInChIKey = BLZVCIGGICSWIG-UHFFFAOYSA-N
	\| CASNo = 62-57-7		\| CASNo = <!-- blanked - oldvalue: 524-95-8 -->
		⚫	\| PubChem = 1598
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| IUPHAR_ligand = 2433
	\| EC-number = 200-544-0
			\| SMILES = B(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN
⚫	\| PubChem = ~~6119~~
		⚫	}}
	\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| DrugBank = DB02952
⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| C=4 \| H=9 \| N=1 \| O=2		\| C=14\|H=16\|B=1\|N=1\|O=1
	\| MolarMass = ~~103~~.12 g/mol		\| MolarMass = 225.094 g/mol
			\| Appearance = white
	\| pKa=2.36 (carboxyl), 10.21 (amino)<ref>Dawson, R.M.C., et al., ''Data for Biochemical Research'', Oxford, Clarendon Press, 1959.</ref>
			\| Density = 1.04g/cm3
			\| MeltingPt = 192-194°C
			\| BoilingPt = 325.3°C @ 760mmHg
			\| Solubility =
			}}
			\| Section3 = {{Chembox Hazards
			\| MainHazards =
			\| FlashPt = 150.6°C
			\| Autoignition =
			\| SPhrases={{S22}} {{S24/25}}
	}}		}}
	}}		}}

Revision as of 15:37, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 443145388 of page 2-Aminoethoxydiphenyl_borate with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 2-Diphenylboranyloxyethanamine
Other names 2-Aminoethyl diphenyl borate
Identifiers
3D model (JSmol)	Interactive image Interactive image
ChEMBL	ChEMBL169233
ChemSpider	1540
IUPHAR/BPS	2433
PubChem CID	1598
InChI InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2Key: BLZVCIGGICSWIG-UHFFFAOYSA-N InChI=1/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2Key: BLZVCIGGICSWIG-UHFFFAOYAJ
SMILES B(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN O(B(c1ccccc1)c2ccccc2)CCN
Properties
Chemical formula	C₁₄H₁₆BNO
Molar mass	225.094 g/mol
Appearance	white
Density	1.04g/cm3
Melting point	192-194°C
Boiling point	325.3°C @ 760mmHg
Hazards
Flash point	150.6°C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound