CHEBI:34043 - 1,2-phenylenediamine

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ChEBI Name 1,2-phenylenediamine
ChEBI ID CHEBI:34043
Definition A phenylenediamine in which the two amino groups are ortho to each other.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H8N2
Net Charge 0
Average Mass 108.14120
Monoisotopic Mass 108.069
InChI InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
InChIKey GEYOCULIXLDCMW-UHFFFAOYSA-N
SMILES Nc1ccccc1N
Roles Classification
Chemical Role(s): hydrogen donor
A molecular entity that can undergo oxidation by the loss of hydrogen atom(s).
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ChEBI Ontology
Outgoing 1,2-phenylenediamine (CHEBI:34043) has parent hydride benzene (CHEBI:16716)
1,2-phenylenediamine (CHEBI:34043) has role hydrogen donor (CHEBI:17499)
1,2-phenylenediamine (CHEBI:34043) is a phenylenediamine (CHEBI:51402)
Incoming 4-nitro-1,2-phenylenediamine (CHEBI:67116) has functional parent 1,2-phenylenediamine (CHEBI:34043)
benzimidazole precursor fungicide (CHEBI:87037) has functional parent 1,2-phenylenediamine (CHEBI:34043)
entinostat (CHEBI:132082) has functional parent 1,2-phenylenediamine (CHEBI:34043)
JSH-23 (CHEBI:131326) has functional parent 1,2-phenylenediamine (CHEBI:34043)
tacedinaline (CHEBI:90195) has functional parent 1,2-phenylenediamine (CHEBI:34043)
thiophanate (CHEBI:82060) has functional parent 1,2-phenylenediamine (CHEBI:34043)
thiophanate-methyl (CHEBI:35014) has functional parent 1,2-phenylenediamine (CHEBI:34043)
IUPAC Name
benzene-1,2-diamine
Synonyms Sources
1,2-Diaminobenzene KEGG COMPOUND
2-Aminoaniline ChemIDplus
2-Phenylene diamine KEGG COMPOUND
o-Phenylenediamine KEGG COMPOUND
OPDA ChemIDplus
phenylene-1,2-dimaine ChEBI
Database Links Databases
C14402 KEGG COMPOUND
O-Phenylenediamine Wikipedia
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Registry Numbers Types Sources
606074 Beilstein Registry Number Beilstein
606074 Reaxys Registry Number Reaxys
95-54-5 CAS Registry Number ChemIDplus
95-54-5 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
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Last Modified
01 June 2016