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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 14:28, 10 January 2012 (Saving copy of the {{chembox}} taken from revid 454314972 of page Tris-(Benzyltriazolylmethyl)amine for the Chem/Drugbox validation project (updated: 'StdInChI').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 14:28, 10 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 454314972 of page Tris-(Benzyltriazolylmethyl)amine for the Chem/Drugbox validation project (updated: 'StdInChI').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 454314972 of page Tris-(Benzyltriazolylmethyl)amine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 1-(1-benzyltriazol-4-yl)-N,N-bismethanamine
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2Key: WKGZJBVXZWCZQC-UHFFFAOYSA-N
  • InChI=1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2
  • InChI=1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2Key: WKGZJBVXZWCZQC-UHFFFAOYSA-N
SMILES
  • c1ccc(cc1)Cn2cc(nn2)CN(Cc3cn(nn3)Cc4ccccc4)Cc5cn(nn5)Cc6ccccc6
Properties
Chemical formula C30H30N10
Molar mass 530.640 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound