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CHEBI:115239 - 3-quinuclidinol

ChEBI IDCHEBI:115239
ChEBI Name3-quinuclidinol
Stars
DefinitionQuinuclidine in which a hydrogen atom at position 3 is substituted by a hydroxy group.
Last Modified27 July 2012
DownloadsMolfile
FormulaC7H13NO
Net Charge0
Average Mass127.187
Monoisotopic Mass127.09971
SMILESOC1C[N@]2CC[C@H]1CC2
InChIInChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2
InChIKeyIVLICPVPXWEGCA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-quinuclidinol (CHEBI:115239) is a quinuclidines (CHEBI:26518)
3-quinuclidinol (CHEBI:115239) is a secondary alcohol (CHEBI:35681)
3-quinuclidinol (CHEBI:115239) is a tertiary amine (CHEBI:32876)
Incoming Relation(s)
aclidinium (CHEBI:65346) has functional parent 3-quinuclidinol (CHEBI:115239)
clidinium (CHEBI:3743) has functional parent 3-quinuclidinol (CHEBI:115239)
clidinium bromide (CHEBI:3744) has functional parent 3-quinuclidinol (CHEBI:115239)
IUPAC Name 
1-azabicyclo[2.2.2]octan-3-ol
Synonyms  Source
1-Aza-bicyclo[2.2.2]octan-3-olChEMBL
3-hydroxy-1-azabicyclo[2.2.2]octaneNIST Chemistry WebBook
3-hydroxyquinuclidineChemIDplus
(±)-3-quinuclidinolChEBI
quinuclidin-3-olChemIDplus
Manual XrefsDatabases
US2648667Patent
Registry NumbersSources
CAS:1619-34-7ChemIDplus
CAS:1619-34-7NIST Chemistry WebBook
Citations