CHEBI:47105 - 1-bromopropane

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ChEBI Name 1-bromopropane
ChEBI ID CHEBI:47105
Definition A bromoalkane that is propane carrying a bromo substituent at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C3H7Br
Net Charge 0
Average Mass 122.99200
Monoisotopic Mass 121.973
InChI InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
InChIKey CYNYIHKIEHGYOZ-UHFFFAOYSA-N
SMILES CCCBr
Roles Classification
Chemical Role(s): solvent
A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
Biological Role(s): neurotoxin
A poison that interferes with the functions of the nervous system.
Application(s): solvent
A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
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ChEBI Ontology
Outgoing 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 bromide ChEBI
Database Links Databases
3BR PDBeChem
N-Propyl_bromide Wikipedia
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Registry Numbers Types Sources
106-94-5 CAS Registry Number ChemIDplus
505936 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21830855 PubMed citation Europe PMC
22893012 PubMed citation Europe PMC
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Last Modified
17 October 2017