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CHEBI:144331 - 1-bromo-2-propanol

ChEBI IDCHEBI:144331
ChEBI Name1-bromo-2-propanol
Stars
DefinitionA secondary alcohol that is propan-2-ol substituted by a bromo group at position 1.
Last Modified4 February 2020
Submittermwilliams
DownloadsMolfile
FormulaC3H7BrO
Net Charge0
Average Mass138.992
Monoisotopic Mass137.96803
SMILESCC(O)CBr
InChIInChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKeyWEGOLYBUWCMMMY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) umbilical vein endothelial cell line (BTO:0001520) MetaboLights (MTBLS739)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-bromo-2-propanol (CHEBI:144331) has role human metabolite (CHEBI:77746)
1-bromo-2-propanol (CHEBI:144331) is a organobromine compound (CHEBI:37141)
1-bromo-2-propanol (CHEBI:144331) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
1-bromopropan-2-ol
Synonyms  Source
1-bromo-2-hydroxypropaneNIST Chemistry WebBook
2-hydroxy-2-methylethyl bromideNIST Chemistry WebBook
2-hydroxybromopropaneChEBI
2-hydroxypropyl bromideChemIDplus
2-propanol, 1-bromo-ChEBI
propylene bromohydrinNIST Chemistry WebBook
Registry NumbersSources
Beilstein:1071195Beilstein
CAS:19686-73-8ChemIDplus
CAS:19686-73-8NIST Chemistry WebBook
Citations