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

ChEBI IDCHEBI:37391
ChEBI Name1,4,7,10-tetraazacyclododecane
Stars
DefinitionAn azacycloalkane that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogen atoms.
Last Modified16 April 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H20N4
Net Charge0
Average Mass172.276
Monoisotopic Mass172.16880
SMILESC1CNCCNCCNCCN1
InChIInChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
InChIKeyQBPPRVHXOZRESW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
cyclenChemIDplus
[12]aneN4IUPAC
Manual XrefsDatabases
YCNPDBeChem
Registry NumbersSources
Gmelin:50235Gmelin
Beilstein:606114Beilstein
CAS:294-90-6ChemIDplus
Citations