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CHEBI:40947 - bis-tris propane

ChEBI IDCHEBI:40947
ChEBI Namebis-tris propane
Stars
DefinitionA water-soluble buffer substance used for the preparation of the biochemical and biological buffer solutions; pKa = 6.8 at 20 °C.
Secondary ChEBI IDsCHEBI:37214, CHEBI:40941
Last Modified17 October 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC11H26N2O6
Net Charge0
Average Mass282.337
Monoisotopic Mass282.17909
SMILESOCC(CO)(CO)NCCCNC(CO)(CO)CO
InChIInChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2
InChIKeyHHKZCCWKTZRCCL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
buffer  Any substance or mixture of substances that, in solution (typically aqueous), resists change in pH upon addition of small amounts of acid or base.
ChEBI Ontology
Outgoing Relation(s)
bis-tris propane (CHEBI:40947) has functional parent tris (CHEBI:9754)
bis-tris propane (CHEBI:40947) has role buffer (CHEBI:35225)
bis-tris propane (CHEBI:40947) is a hexol (CHEBI:37206)
IUPAC Name 
2,2'-(propane-1,3-diyldiimino)bis[2-(hydroxymethyl)propane-1,3-diol]
Synonyms  Source
2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOLPDBeChem
1,3-bis(tris(hydroxymethyl)methylamino)propaneChemIDplus
Manual XrefsDatabases
B3PPDBeChem
DB02676DrugBank
Registry NumbersSources
Gmelin:1734507Gmelin
Beilstein:1786109Beilstein
CAS:64431-96-5ChemIDplus