MBBA: Difference between revisions

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Revision as of 10:24, 19 January 2012 editThe chemistds (talk \| contribs)Extended confirmed users5,761 edits added CSID, (std)InChI and (Std)InChIKey← Previous edit		Revision as of 10:35, 19 January 2012 edit undoCheMoBot (talk \| contribs)Bots141,565 edits Updating {{chembox}} (no changed fields - added verified revid - updated 'ChemSpiderID_Ref', 'DrugBank_Ref', 'UNII_Ref', 'ChEMBL_Ref', 'ChEBI_Ref', 'KEGG_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref', 'CASNo_Ref') per [[WP:CHEMVALID\|Chem/Drugbox validat...Next edit →
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	{{chembox		{{chembox
	\| verifiedrevid = ~~385876878~~		\| verifiedrevid = 472035275
	\|ImageFile=MBBA.svg		\|ImageFile=MBBA.svg
	\|ImageSize=		\|ImageSize=
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	\|OtherNames=		\|OtherNames=
	\|Section1={{Chembox Identifiers		\|Section1={{Chembox Identifiers
			\| CASNo_Ref = {{cascite\|correct\|??}}
	\| CASNo=97402-82-9		\| CASNo=97402-82-9
	\| PubChem=33363		\| PubChem=33363
	\| SMILES=CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC		\| SMILES=CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = 30817		\| ChemSpiderID = 30817
	\| InChI = 1/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3/b19-14+		\| InChI = 1/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3/b19-14+
	\| InChIKey = FEIWNULTQYHCDN-XMHGGMMEBZ		\| InChIKey = FEIWNULTQYHCDN-XMHGGMMEBZ
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3/b19-14+		\| StdInChI = 1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3/b19-14+
⚫	\| StdInChIKey = FEIWNULTQYHCDN-XMHGGMMESA-N
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChIKey = FEIWNULTQYHCDN-XMHGGMMESA-N
	}}		}}
	\|Section2={{Chembox Properties		\|Section2={{Chembox Properties

Revision as of 10:35, 19 January 2012

MBBA
Identifiers

CAS Number	97402-82-9
3D model (JSmol)	Interactive image
ChemSpider	30817
PubChem CID	33363
CompTox Dashboard (EPA)	DTXSID8025549
InChI InChI=1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3/b19-14+Key: FEIWNULTQYHCDN-XMHGGMMESA-N InChI=1/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3/b19-14+Key: FEIWNULTQYHCDN-XMHGGMMEBZ
SMILES CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC
Properties
Chemical formula	C₁₈H₂₁NO
Molar mass	267.372 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Chemical compound

N-(4-Methoxybenzylidene)-4-butylaniline (MBBA) is an organic compound often used in liquid crystals.

External links

NIST Webbook

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