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CHEBI:75337 - 2-(aminomethyl)-3,4,6-trichlorophenol

ChEBI IDCHEBI:75337
ChEBI Name2-(aminomethyl)-3,4,6-trichlorophenol
Stars
DefinitionA member of the class of trichlorophenols that is phenol substituted by chloro groups at positions 3, 4 and 6 and an aminomethyl group at position 2.
Last Modified27 August 2013
Submitternamrata
DownloadsMolfile
FormulaC7H6Cl3NO
Net Charge0
Average Mass226.490
Monoisotopic Mass224.95150
SMILESNCc1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C7H6Cl3NO/c8-4-1-5(9)7(12)3(2-11)6(4)10/h1,12H,2,11H2
InChIKeyZKOOKXLPQGZFCQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-(aminomethyl)-3,4,6-trichlorophenol (CHEBI:75337) has functional parent benzylamine (CHEBI:40538)
2-(aminomethyl)-3,4,6-trichlorophenol (CHEBI:75337) is a primary amino compound (CHEBI:50994)
2-(aminomethyl)-3,4,6-trichlorophenol (CHEBI:75337) is a trichlorophenols (CHEBI:15258)
Incoming Relation(s)
2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate (CHEBI:75336) has functional parent 2-(aminomethyl)-3,4,6-trichlorophenol (CHEBI:75337)
IUPAC Name 
2-(aminomethyl)-3,4,6-trichlorophenol
Registry NumbersSources
Reaxys:2101332Reaxys