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CHEBI:29110 - (±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one

ChEBI IDCHEBI:29110
ChEBI Name(±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one
Stars
ASCII Name(+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one
Secondary ChEBI IDsCHEBI:68, CHEBI:11086, CHEBI:18463
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H25NO3
Net Charge0
Average Mass291.391
Monoisotopic Mass291.18344
SMILESCC(C)(C)NCC(O)COc1cccc2c1CCCC2=O
InChIInChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3
InChIKeyIXHBTMCLRNMKHZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one (CHEBI:29110) is a naphthalenone (CHEBI:25479)
(±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one (CHEBI:29110) is conjugate base of (±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+) (CHEBI:58612)
Incoming Relation(s)
(±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+) (CHEBI:58612) is conjugate acid of (±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one (CHEBI:29110)
IUPAC Name 
5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one
Synonyms  Source
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenoneKEGG COMPOUND
(+/-)-5-[(tert-butylaminol)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenoneChEBI
BunololChemIDplus
(+/-)-BunololKEGG COMPOUND
Manual XrefsDatabases
C04883KEGG COMPOUND
Registry NumbersSources
Beilstein:1887243Beilstein
CAS:27591-01-1ChemIDplus