CHEBI:112991 - 2-chloro-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone

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ChEBI Name 2-chloro-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone
ChEBI ID CHEBI:112991
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H19ClN2O
Net Charge 0
Average Mass 266.767
Monoisotopic Mass 266.11859
InChI InChI=1S/C14H19ClN2O/c1-12-3-2-4-13(9-12)11-16-5-7-17(8-6-16)14(18)10-15/h2-4,9H,5-8,10-11H2,1H3
InChIKey DVBSBXBABNLMIS-UHFFFAOYSA-N
SMILES CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 2-chloro-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone (CHEBI:112991) is a aromatic amine (CHEBI:33860)
Manual Xref Database
LSM-24401 LINCS
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