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CHEBI:140779 - 1,3,6,8-tetraazatricyclo[4,4,1,13,8]dodecane

Default Structure
ChEBI IDCHEBI:140779
ChEBI Name1,3,6,8-tetraazatricyclo[4,4,1,13,8]dodecane
Stars
ASCII Name1,3,6,8-tetraazatricyclo[4,4,1,1(3,8)]dodecane
DefinitionAn adamanzane which contains four one-carbon chains and two two-carbon chains linking the nitrogens thus forming a cage structure.
Last Modified13 May 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H16N4
Net Charge0
Average Mass168.244
Monoisotopic Mass168.13750
SMILESC1CN2CN3CCN(CN1C3)C2
InChIInChI=1S/C8H16N4/c1-2-10-7-11-3-4-12(8-10)6-9(1)5-11/h1-8H2
InChIKeyYHNNUDUEGSHVGJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
disinfectant  An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity.
ChEBI Ontology
Outgoing Relation(s)
1,3,6,8-tetraazatricyclo[4,4,1,13,8]dodecane (CHEBI:140779) has role disinfectant (CHEBI:48219)
1,3,6,8-tetraazatricyclo[4,4,1,13,8]dodecane (CHEBI:140779) is a adamanzane (CHEBI:140780)
IUPAC Name 
1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane
Synonyms  Source
1,6,3,8-dimethano-1,3,6,8-tetraazacyclodecaneChEBI
1,6,3,8-diméthano-tétra-aza-cyclodécaneChEBI
1,6,3,8-dimethan-tetra-aza-cyclodecaneChEBI
[14.22]adzChEBI
TATDChemIDplus
tetraazatricyclododecaneChEBI
Brand Name  Source
DezantChemIDplus
Manual XrefsDatabases
59511ChemSpider
RU2273495Patent
US4113932Patent
WO2008002199Patent
Registry NumbersSources
Reaxys:2765Reaxys
CAS:51-46-7NIST Chemistry WebBook
CAS:51-46-7ChemIDplus
Citations