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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 20:02, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 475180606 of page Acriflavinium_chloride for the Chem/Drugbox validation project (updated: 'UNII', 'ChEMBL', 'ChEBI', 'StdInChI', 'StdInChIKey', '...). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 20:02, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 475180606 of page Acriflavinium_chloride for the Chem/Drugbox validation project (updated: 'UNII', 'ChEMBL', 'ChEBI', 'StdInChI', 'StdInChIKey', '...)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 475180606 of page Acriflavinium_chloride with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Wireframe of acriflavine
Names
IUPAC name 3,6-Diamino-10-methylacridin-10-ium chloride
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
EC Number
  • 201-668-8
PubChem CID
InChI
  • InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1HKey: PEJLNXHANOHNSU-UHFFFAOYSA-N
  • InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1HKey: PEJLNXHANOHNSU-UHFFFAOYSA-N
  • InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1HKey: PEJLNXHANOHNSU-UHFFFAOYSA-N
SMILES
  • .C1=C2C=C(N)C=CC2=CC2=C1C=C(N)C=C2
  • .n1c3c(cc2c1cc(N)cc2)ccc(c3)N.Nc3cc2(c1cc(N)ccc1cc2cc3)C
Properties
Chemical formula C14H14ClN3
Molar mass 259.74 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒verify (what is  ?) Infobox references
Chemical compound