CHEBI:91222 - neocuproine

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ChEBI Name neocuproine
ChEBI ID CHEBI:91222
Definition A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H12N2
Net Charge 0
Average Mass 208.259
Monoisotopic Mass 208.100
InChI InChI=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
InChIKey IYRGXJIJGHOCFS-UHFFFAOYSA-N
SMILES N1=C(C=CC2=CC=C3C=CC(=NC3=C12)C)C
Roles Classification
Chemical Role(s): chelator
A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
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ChEBI Ontology
Outgoing neocuproine (CHEBI:91222) has role chelator (CHEBI:38161)
neocuproine (CHEBI:91222) is a phenanthrolines (CHEBI:48835)
IUPAC Name
2,9-dimethyl-1,10-phenanthroline
Synonyms Sources
2,9-Dimethyl-o-phenanthroline NIST Chemistry WebBook
2,9-Dimethylphenanthroline ChemIDplus
DMPHEN ChEBI
Neocuproin ChemIDplus
Manual Xrefs Databases
LSM-19991 LINCS
Neocuproine Wikipedia
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Registry Numbers Types Sources
153179 Reaxys Registry Number Reaxys
484-11-7 CAS Registry Number NIST Chemistry WebBook
484-11-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
25151036 PubMed citation Europe PMC
Last Modified
25 February 2016