CHEBI:194741 - 2-{[3-(Dimethylamino)propyl]amino}-6-fluorobenzonitrile

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-{[3-(Dimethylamino)propyl]amino}-6-fluorobenzonitrile
ChEBI ID CHEBI:194741
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H16FN3
Net Charge 0
Average Mass 221.279
Monoisotopic Mass 221.13283
InChI InChI=1S/C12H16FN3/c1-16(2)8-4-7-15-12-6-3-5-11(13)10(12)9-14/h3,5-6,15H,4,7-8H2,1-2H3
InChIKey QOAPAPQPNXREAZ-UHFFFAOYSA-N
SMILES FC=1C(=C(NCCCN(C)C)C=CC1)C#N
ChEBI Ontology
Outgoing 2-{[3-(Dimethylamino)propyl]amino}-6-fluorobenzonitrile (CHEBI:194741) is a benzenes (CHEBI:22712)
2-{[3-(Dimethylamino)propyl]amino}-6-fluorobenzonitrile (CHEBI:194741) is a nitrile (CHEBI:18379)
IUPAC Name
2-[3-(dimethylamino)propylamino]-6-luorobenzonitrile
Manual Xref Database
2060275 ChemSpider
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