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CHEBI:182772 - 2-Methyldopamine

Default Structure
ChEBI IDCHEBI:182772
ChEBI Name2-Methyldopamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H13NO2
Net Charge0
Average Mass167.208
Monoisotopic Mass167.09463
SMILESCc1c(CCN)ccc(O)c1O
InChIInChI=1S/C9H13NO2/c1-6-7(4-5-10)2-3-8(11)9(6)12/h2-3,11-12H,4-5,10H2,1H3
InChIKeyNSEVRAZZUOXAHQ-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
2-Methyldopamine (CHEBI:182772) is a catecholamine (CHEBI:33567)
IUPAC Name 
4-(2-aminoethyl)-3-methylbenzene-1,2-diol
Manual XrefsDatabases
61670ChemSpider
Registry NumbersSources
CAS:53622-73-4ChemIDplus