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Revision as of 20:37, 14 April 2011 editCheMoBot (talk | contribs)Bots141,565 edits Updating {{chembox}} (no changed fields - added verified revid - updated 'UNII_Ref', 'ChemSpiderID_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref', 'ChEMBL_Ref', 'KEGG_Ref') per Chem/Drugbox validation (← Previous edit Revision as of 10:24, 19 January 2012 edit undoThe chemistds (talk | contribs)Extended confirmed users5,761 edits added CSID, (std)InChI and (Std)InChIKeyNext edit →
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| 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 = 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+
| InChIKey = FEIWNULTQYHCDN-XMHGGMMEBZ
| 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
}} }}
|Section2={{Chembox Properties |Section2={{Chembox Properties

Revision as of 10:24, 19 January 2012

MBBA
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
CompTox Dashboard (EPA)
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). checkY verify (what is  ?) Infobox references
Chemical compound

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

External links

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