CHEBI:37391 - 1,4,7,10-tetraazacyclododecane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,4,7,10-tetraazacyclododecane
ChEBI ID CHEBI:37391
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H20N4
Net Charge 0
Average Mass 172.27136
Monoisotopic Mass 172.169
InChI InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
InChIKey QBPPRVHXOZRESW-UHFFFAOYSA-N
SMILES C1CNCCNCCNCCN1
ChEBI Ontology
Outgoing 1,4,7,10-tetraazacyclododecane (CHEBI:37391) is a azacycloalkane (CHEBI:37949)
1,4,7,10-tetraazacyclododecane (CHEBI:37391) is a crown amine (CHEBI:37411)
1,4,7,10-tetraazacyclododecane (CHEBI:37391) is a saturated organic heteromonocyclic parent (CHEBI:36389)
Incoming DOTA (CHEBI:61028) has parent hydride 1,4,7,10-tetraazacyclododecane (CHEBI:37391)
H3HP-DO3A (CHEBI:37387) has parent hydride 1,4,7,10-tetraazacyclododecane (CHEBI:37391)
IUPAC Name
1,4,7,10-tetraazacyclododecane
Synonyms Sources
[12]aneN4 IUPAC
cyclen ChemIDplus
Registry Numbers Types Sources
294-90-6 CAS Registry Number ChemIDplus
50235 Gmelin Registry Number Gmelin
606114 Beilstein Registry Number Beilstein
Last Modified
18 January 2011