CHEBI:48609 - 1,4-dimethylnaphthalene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,4-dimethylnaphthalene
ChEBI ID CHEBI:48609
Definition A dimethylnaphthalene carrying methyl groups at positions 1 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H12
Net Charge 0
Average Mass 156.22368
Monoisotopic Mass 156.09390
InChI InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3
InChIKey APQSQLNWAIULLK-UHFFFAOYSA-N
SMILES Cc1ccc(C)c2ccccc12
ChEBI Ontology
Outgoing 1,4-dimethylnaphthalene (CHEBI:48609) is a dimethylnaphthalene (CHEBI:48853)
IUPAC Name
1,4-dimethylnaphthalene
Synonym Source
1,4-DMN Patent
Manual Xrefs Databases
2518 PPDB
2518 BPDB
EP1852409 Patent
View more database links
Registry Numbers Types Sources
2039842 Reaxys Registry Number Reaxys
2039842 Beilstein Registry Number Beilstein
571-58-4 CAS Registry Number ChemIDplus
571-58-4 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
11276846 PubMed citation Europe PMC
22113341 PubMed citation Europe PMC
Last Modified
21 May 2014