EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:47105 - 1-bromopropane

ChEBI IDCHEBI:47105
ChEBI Name1-bromopropane
Stars
DefinitionA bromoalkane that is propane carrying a bromo substituent at position 1.
Last Modified20 May 2021
DownloadsMolfile
FormulaC3H7Br
Net Charge0
Average Mass122.993
Monoisotopic Mass121.97311
SMILESCCCBr
InChIInChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
InChIKeyCYNYIHKIEHGYOZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
solvent  A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
Biological Role:
neurotoxin  A poison that interferes with the functions of the nervous system.
Application:
solvent  A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
ChEBI Ontology
Outgoing Relation(s)
1-bromopropane (CHEBI:47105) has role neurotoxin (CHEBI:50910)
1-bromopropane (CHEBI:47105) has role solvent (CHEBI:46787)
1-bromopropane (CHEBI:47105) is a bromoalkane (CHEBI:22929)
1-bromopropane (CHEBI:47105) is a bromohydrocarbon (CHEBI:22926)
IUPAC Name 
1-bromopropane
Synonym  Source
n-propyl bromideChEBI
UniProt Name  Source
1-bromopropaneUniProt
Manual XrefsDatabases
3BRPDBeChem
N-Propyl_bromideWikipedia
Registry NumbersSources
Reaxys:505936Reaxys
CAS:106-94-5ChemIDplus
Citations