CHEBI:8092 - 1,3-phenylenediamine

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ChEBI Name 1,3-phenylenediamine
ChEBI ID CHEBI:8092
Definition A phenylenediamine taht is benzene substituted at positions 1 and 3 with amino functions.
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/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
InChIKey WZCQRUWWHSTZEM-UHFFFAOYSA-N
SMILES Nc1cccc(N)c1
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 1,3-phenylenediamine (CHEBI:8092) is a phenylenediamine (CHEBI:51402)
IUPAC Name
benzene-1,3-diamine
Synonyms Sources
1,3-Benzenediamine KEGG COMPOUND
1,3-Diaminobenzene ChemIDplus
3-Aminoaniline ChemIDplus
3-Phenylenediamine ChemIDplus
m-Diaminobenzene KEGG COMPOUND
m-Phenylenediamine KEGG COMPOUND
meta-Phenylenediamine KEGG COMPOUND
Manual Xrefs Databases
C02454 KEGG COMPOUND
M-Phenylenediamine Wikipedia
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Registry Numbers Types Sources
108-45-2 CAS Registry Number KEGG COMPOUND
108-45-2 CAS Registry Number NIST Chemistry WebBook
108-45-2 CAS Registry Number ChemIDplus
25265-76-3 CAS Registry Number KEGG COMPOUND
471357 Reaxys Registry Number Reaxys
471357 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
1395635 PubMed citation Europe PMC
22511621 PubMed citation Europe PMC
23425124 PubMed citation Europe PMC
23573921 PubMed citation Europe PMC
Last Modified
29 September 2014