CHEBI:125469 - 1-methylisoquinoline

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ChEBI Name 1-methylisoquinoline ChEBI ID CHEBI:125469 Definition An isoquinoline substituted by a methyl group at position 1. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H9N Net Charge 0 Average Mass 143.189 Monoisotopic Mass 143.07350 InChI InChI=1S/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3 InChIKey PBYMYAJONQZORL-UHFFFAOYSA-N SMILES CC1=NC=CC2=CC=CC=C12 ChEBI Ontology Outgoing 1-methylisoquinoline (CHEBI:125469) is a isoquinolines (CHEBI:24922) IUPAC Name 1-methylisoquinoline Synonyms Sources 1-methyl-isoquinoline NIST Chemistry WebBook isoquinaldine NIST Chemistry WebBook Manual Xrefs Databases 14833 ChemSpider LSM-36961 LINCS View more database links Registry Numbers Types Sources 111339 Reaxys Registry Number Reaxys 1721-93-3 CAS Registry Number NIST Chemistry WebBook 1721-93-3 CAS Registry Number ChemIDplus Citations Types Sources 23290448 PubMed citation Europe PMC 26741300 PubMed citation Europe PMC 29441136 PubMed citation Europe PMC 8813250 PubMed citation Europe PMC Last Modified 12 January 2023