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CHEBI:8092 - 1,3-phenylenediamine

ChEBI IDCHEBI:8092
ChEBI Name1,3-phenylenediamine
Stars
DefinitionA phenylenediamine taht is benzene substituted at positions 1 and 3 with amino functions.
Last Modified29 September 2014
DownloadsMolfile
FormulaC6H8N2
Net Charge0
Average Mass108.144
Monoisotopic Mass108.06875
SMILESNc1cccc(N)c1
InChIInChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
InChIKeyWZCQRUWWHSTZEM-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1,3-phenylenediamine (CHEBI:8092) is a phenylenediamine (CHEBI:51402)
IUPAC Name 
benzene-1,3-diamine
Synonyms  Source
m-PhenylenediamineKEGG COMPOUND
m-DiaminobenzeneKEGG COMPOUND
1,3-BenzenediamineKEGG COMPOUND
3-PhenylenediamineChemIDplus
3-AminoanilineChemIDplus
1,3-DiaminobenzeneChemIDplus
Manual XrefsDatabases
C02454KEGG COMPOUND
M-PhenylenediamineWikipedia
Registry NumbersSources
Reaxys:471357Reaxys
CAS:108-45-2KEGG COMPOUND
CAS:25265-76-3KEGG COMPOUND
CAS:108-45-2ChemIDplus
CAS:108-45-2NIST Chemistry WebBook
Citations