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CHEBI:53003 - naphthalene-1,5-diamine

ChEBI IDCHEBI:53003
ChEBI Namenaphthalene-1,5-diamine
Stars
DefinitionA naphthalenediamine compound having amino substituents in the 1- and 5-positions.
Last Modified28 July 2014
Submittereleh
DownloadsMolfile
FormulaC10H10N2
Net Charge0
Average Mass158.204
Monoisotopic Mass158.08440
SMILESNc1cccc2c(N)cccc12
InChIInChI=1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2
InChIKeyKQSABULTKYLFEV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
ChEBI Ontology
Outgoing Relation(s)
naphthalene-1,5-diamine (CHEBI:53003) has role carcinogenic agent (CHEBI:50903)
naphthalene-1,5-diamine (CHEBI:53003) is a naphthalenediamine (CHEBI:53009)
IUPAC Name 
naphthalene-1,5-diamine
Synonyms  Source
1,5-naphthalenediamineSUBMITTER
1,5-diaminonaphthaleneSUBMITTER
1,5-NaphthalenediamineChemIDplus
1,5-DiaminonaphthaleneChemIDplus
1,5-NaphthylenediamineChemIDplus
Manual XrefsDatabases
C19463KEGG COMPOUND
Registry NumbersSources
Beilstein:907947Beilstein
CAS:2243-62-1ChemIDplus
CAS:2243-62-1NIST Chemistry WebBook
CAS:2243-62-1KEGG COMPOUND