CHEBI:39618 - hexane-1,6-diamine

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ChEBI Name hexane-1,6-diamine
ChEBI ID CHEBI:39618
Definition A C6 alkane-α,ω-diamine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H16N2
Net Charge 0
Average Mass 116.20472
Monoisotopic Mass 116.131
InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2
InChIKey NAQMVNRVTILPCV-UHFFFAOYSA-N
SMILES NCCCCCCN
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing 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 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 Sources
1,6-diamino-n-hexane NIST Chemistry WebBook
1,6-diaminohexane ChemIDplus
1,6-hexamethylenediamine ChemIDplus
1,6-hexanediamine NIST Chemistry WebBook
1,6-hexylenediamine ChemIDplus
diaminohexane ChEBI
H2N(CH2)6NH2 NIST Chemistry WebBook
HEX-NH2 ChEBI
hexamethylene diamine ChemIDplus
hexamethylenediamine NIST Chemistry WebBook
HEXANE-1,6-DIAMINE PDBeChem
hexylenediamine NIST Chemistry WebBook
HMDA ChemIDplus
Database Links Databases
16D PDBeChem
DB03260 DrugBank
Hexamethylenediamine Wikipedia
View more database links
Registry Numbers Types Sources
1098307 Beilstein Registry Number ChemIDplus
1098307 Reaxys Registry Number Reaxys
124-09-4 CAS Registry Number NIST Chemistry WebBook
124-09-4 CAS Registry Number ChemIDplus
2578 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
21527495 PubMed citation Europe PMC
22986425 PubMed citation Europe PMC
23530439 PubMed citation Europe PMC
23933844 PubMed citation Europe PMC
24064415 PubMed citation Europe PMC
6182245 PubMed citation Europe PMC
Last Modified
03 March 2014