EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:144333 - 3-bromo-1-propanol

Default Structure
ChEBI IDCHEBI:144333
ChEBI Name3-bromo-1-propanol
Stars
DefinitionA primary alcohol that is propan-1-ol substituted by a bromo group at position 3.
Last Modified28 July 2026
Submittermwilliams
DownloadsMolfile
FormulaC3H7BrO
Net Charge0
Average Mass138.992
Monoisotopic Mass137.96803
SMILESOCCCBr
InChIInChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2
InChIKeyRQFUZUMFPRMVDX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bubalus bubalis (ncbitaxon:89462) urine (BTO:0001419) PubMed (38364903)
Homo sapiens (ncbitaxon:9606) umbilical vein endothelial cell line (BTO:0001520) MetaboLights (MTBLS739)
Roles Classification
Biological Role:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
3-bromo-1-propanol (CHEBI:144333) has role mammalian metabolite (CHEBI:75768)
3-bromo-1-propanol (CHEBI:144333) is a organobromine compound (CHEBI:37141)
3-bromo-1-propanol (CHEBI:144333) is a primary alcohol (CHEBI:15734)
IUPAC Name 
3-bromopropan-1-ol
Synonyms  Source
1-bromo-3-hydroxypropaneCAS
1-bromo-3-propanolCAS
3-bromopropane-1-olCAS
3-bromopropyl alcoholCAS
3-hydroxypropyl bromideCAS
trimethylene bromohydrinCAS
UniProt Name  Source
3-bromo-1-propanolUniProt
Registry NumbersSources
Reaxys:969160Reaxys
CAS:627-18-9CAS
CAS:627-18-9NIST Chemistry WebBook
Citations