CHEBI:44194 - butylbenzene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name butylbenzene
ChEBI ID CHEBI:44194
Definition An alkylbenzene that is benzene substituted by a butyl group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:33182, CHEBI:44193
Supplier Information
Download Molfile XML SDF
Formula C10H14
Net Charge 0
Average Mass 134.21816
Monoisotopic Mass 134.10955
InChI InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
InChIKey OCKPCBLVNKHBMX-UHFFFAOYSA-N
SMILES CCCCc1ccccc1
ChEBI Ontology
Outgoing butylbenzene (CHEBI:44194) is a alkylbenzene (CHEBI:38976)
IUPAC Name
butylbenzene
Synonyms Sources
1-butylbenzene NIST Chemistry WebBook
1-phenylbutane NIST Chemistry WebBook
N-BUTYLBENZENE PDBeChem
n-butylbenzene ChemIDplus
Manual Xrefs Databases
C18150 KEGG COMPOUND
DB01845 DrugBank
HMDB0059812 HMDB
N4B PDBeChem
View more database links
Registry Numbers Types Sources
104-51-8 CAS Registry Number NIST Chemistry WebBook
104-51-8 CAS Registry Number ChemIDplus
1903395 Beilstein Registry Number ChemIDplus
1903395 Reaxys Registry Number Reaxys
261411 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
21328399 PubMed citation Europe PMC
23270871 PubMed citation Europe PMC
Last Modified
28 July 2014