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Cucurbituril[6] · CAS 80262-44-8 · C36H36N24O12. UNII NS00123568.
| CAS Registry Number | 80262-44-8 |
|---|---|
| PubChem CID | 196163 |
| Molecular formula | C36H36N24O12 |
| IUPAC name | 3,5,8,10,13,15,18,20,23,25,28,30,31,33,35,37,41,43,45,47,49,51,53,55-tetracosazanonadecacyclo[25.3.3.36,7.311,12.316,17.321,22.22,31.226,33.13,30.15,8.110,13.115,18.120,23.125,28.135,41.137,55.143,45.147,49.151,53]hexacontane-34,36,38,39,40,42,44,46,48,50,52,54-dodecone |
| UNII (FDA) | NS00123568 |
| Molecular Weight | 996.8 |
|---|---|
| XLogP3 | -6.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 0 |
| Exact Mass | 996.29445268 |
| Monoisotopic Mass | 996.29445268 |
| Topological Polar Surface Area | 283 |
| Heavy Atom Count | 72 |
| Formal Charge | 0 |
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Cucurbituril; 80262-44-8; DTXSID101317823; cucurbit(n)uril; cucurbit(n)urils; RefChem:128733; CHEBI:51431; DTXCID801747623; cucurbit[6]uril; Cucurbit[6]uril hydrate; Cucurbit(6)uril; Cucurbit[n]uril b; CB[6]; SCHEMBL13527759; SCHEMBL16272338; CHEBI:51432
CAS 80262-44-8; molecular formula C36H36N24O12; molecular weight — g/mol.
Cucurbituril, 80262-44-8, DTXSID101317823, cucurbit(n)uril, cucurbit(n)urils, RefChem:128733.
Hazard statements reported: H315, H319, H335.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.