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CHEBI:91222 - neocuproine

ChEBI IDCHEBI:91222
ChEBI Nameneocuproine
Stars
DefinitionA member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9.
Last Modified12 November 2020
SubmitterSteve
DownloadsMolfile
FormulaC14H12N2
Net Charge0
Average Mass208.264
Monoisotopic Mass208.10005
SMILESCc1ccc2ccc3ccc(C)nc3c2n1
InChIInChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
InChIKeyIYRGXJIJGHOCFS-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
copper chelator  A chelator that is any compound containing a ligand (typically organic) which is able to form a bond to a central copper atom at two or more points.
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
ChEBI Ontology
Outgoing Relation(s)
neocuproine (CHEBI:91222) has role chelator (CHEBI:38161)
neocuproine (CHEBI:91222) has role copper chelator (CHEBI:166831)
neocuproine (CHEBI:91222) is a phenanthrolines (CHEBI:48835)
IUPAC Name 
2,9-dimethyl-1,10-phenanthroline
Synonyms  Source
NeocuproinChemIDplus
2,9-DimethylphenanthrolineChemIDplus
2,9-Dimethyl-o-phenanthrolineNIST Chemistry WebBook
DMPHENChEBI
Manual XrefsDatabases
NeocuproineWikipedia
LSM-19991LINCS
Registry NumbersSources
Reaxys:153179Reaxys
CAS:484-11-7ChemIDplus
CAS:484-11-7NIST Chemistry WebBook
Citations