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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 16:32, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 475471172 of page 1,8-Diazabicycloundec-7-ene for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 16:32, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 475471172 of page 1,8-Diazabicycloundec-7-ene for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 475471172 of page 1,8-Diazabicycloundec-7-ene with values updated to verified values.
1,8-Diazabicycloundec-7-ene
Names
IUPAC name 2,3,4,6,7,8,9,10-octahydropyrimidoazepine
Other names DBU,Diazabicycloundecene
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
InChI
  • InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N
  • InChI=1/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2Key: GQHTUMJGOHRCHB-UHFFFAOYAM
SMILES
  • N\2=C1\N(CCCCC1)CCC/2
Properties
Chemical formula C9H16N2
Molar mass 152.24 g/mol
Appearance Colorless liquid
Density 1.018 g/mL liquid
Melting point −70 °C (−94 °F; 203 K)
Boiling point 80-83 °C (0.6 mmHg)
Acidity (pKa) 24.34 (in acetonitrile) (pKa value of protonated DBU)
Hazards
Flash point 119.9°C
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
  1. I. Kaljurand, A. Kütt, L. Sooväli, T. Rodima, V. Mäemets, I. Leito, I. A. Koppel. Extension of the Self-Consistent Spectrophotometric Basicity Scale in Acetonitrile to a Full Span of 28 pKa Units: Unification of Different Basicity Scales. J. Org. Chem., 2005, 70, 1019–1028. DOI: 10.1021/jo048252w