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CHEBI:39618 - hexane-1,6-diamine

ChEBI IDCHEBI:39618
ChEBI Namehexane-1,6-diamine
Stars
DefinitionA C6 alkane-α,ω-diamine.
Last Modified3 March 2014
DownloadsMolfile
FormulaC6H16N2
Net Charge0
Average Mass116.208
Monoisotopic Mass116.13135
SMILESNCCCCCCN
InChIInChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2
InChIKeyNAQMVNRVTILPCV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
hexane-1,6-diamine (CHEBI:39618) has parent hydride hexane (CHEBI:29021)
hexane-1,6-diamine (CHEBI:39618) has role human xenobiotic metabolite (CHEBI:76967)
hexane-1,6-diamine (CHEBI:39618) is a alkane-α,ω-diamine (CHEBI:35411)
Incoming Relation(s)
N-(2,4-dinitro-6-carboxy)phenyl-1.6-diaminohexane (CHEBI:53649) has functional parent hexane-1,6-diamine (CHEBI:39618)
N1,N6-bis-DNCP-1,6-hexanediamine (CHEBI:63123) has functional parent hexane-1,6-diamine (CHEBI:39618)
IUPAC Name 
hexane-1,6-diamine
Synonyms  Source
HEXANE-1,6-DIAMINEPDBeChem
1,6-hexanediamineNIST Chemistry WebBook
hexamethylenediamineNIST Chemistry WebBook
1,6-diaminohexaneChemIDplus
HMDAChemIDplus
hexamethylene diamineChemIDplus
Manual XrefsDatabases
16DPDBeChem
DB03260DrugBank
HexamethylenediamineWikipedia
Registry NumbersSources
Gmelin:2578Gmelin
Reaxys:1098307Reaxys
CAS:124-09-4NIST Chemistry WebBook
CAS:124-09-4ChemIDplus
Citations