1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (CAS 60239-18-1) — formula C16H28N4O8, molecular weight 404.42; category organic chemicals.
| CAS Number | 60239-18-1 |
|---|---|
| Molecular Formula | C16H28N4O8 |
| Molecular Weight | 404.42 |
| LogP | -10.6 |
| Applications | Uses: Use (kg, approx.) in Germany (2009): >1000, Consumption (g per capita, approx.) in Germany (2009): 0.0122, Excretion rate: 0.95, Calculated removal (%): 22 |
| Category | Organic Chemicals |
Documented applications: Uses: Use (kg, approx.) in Germany (2009): >1000, Consumption (g per capita, approx.) in Germany (2009): 0.0122, Excretion rate: 0.95, Calculated removal (%): 22.
1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid is a carbon-based organic compound with CAS registry number 60239-18-1 and molecular formula C16H28N4O8 (molecular weight 404.42), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 60239-18-1
Its molecular formula C16H28N4O8 comprises 16 C, 28 H, 4 N, 8 O atoms.
Also known as: 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid · 1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸
Category: organic chemicals
The CAS registry number of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid is 60239-18-1.
Molecular formula C16H28N4O8, molecular weight 404.42.
It is also registered under: 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸.
Recorded applications: Uses: Use (kg, approx.) in Germany (2009): >1000, Consumption (g per capita, approx.) in Germany (2009): 0.0122, Excretion rate: 0.95, Calculated removal (%): 22.
Category: Organic Chemicals.
Independent reference data for 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (CAS 60239-18-1), compiled from public chemistry databases.
| CAS Registry Number | 60239-18-1 |
|---|---|
| PubChem CID | 121841 |
| Molecular formula | C16H28N4O8 |
| IUPAC name | 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| UNII (FDA) | 1HTE449DGZ |
| Molecular Weight | 404.42 |
|---|---|
| XLogP3 | -10.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 404.19071386 |
| Monoisotopic Mass | 404.19071386 |
| Topological Polar Surface Area | 162 |
| Heavy Atom Count | 28 |
DOTA; Tetraxetan; 60239-18-1; 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid; Dota acid; 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid; 1,4,7,10-Tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid; 1,4,7,10-Dota; 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid; DOT-A; 1HTE449DGZ; NSC-681107; CHEBI:61028; DTXSID60208984; 2,2',2'',2'''-(1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRYL)TETRAACETIC ACID; 2-(4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl)acetic acid
| Reported hazard statements | H315 (91.1%), H317 (17.9%), H319 (100%), H335 (71.4%) |
|---|
H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (17.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid · CAS 60239-18-1 · C16H28N4O8. UNII 1HTE449DGZ.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.