4-oxo-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]isocrotonic acid (CAS 97259-81-9) — formula C15H10F17NO4, molecular weight 591.22; category organic chemicals.
| CAS Number | 97259-81-9 |
|---|---|
| Molecular Formula | C15H10F17NO4 |
| Molecular Weight | 591.22 |
| LogP | 4.9 |
| Applications | Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category |
| Category | Organic Chemicals |
Documented applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category.
4-oxo-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]isocrotonic acid is a carbon-based organic compound with CAS registry number 97259-81-9 and molecular formula C15H10F17NO4 (molecular weight 591.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97259-81-9
Its molecular formula C15H10F17NO4 comprises 15 C, 10 H, 17 F, 1 N, 4 O atoms.
Also known as: 4-oxo-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]isocrotonic acid · 4-氧代-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟-2-羟基十一烷基)氨基]异巴豆酸
Category: organic chemicals
The CAS registry number of 4-oxo-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]isocrotonic acid is 97259-81-9.
Molecular formula C15H10F17NO4, molecular weight 591.22.
It is also registered under: 4-oxo-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]isocrotonic acid, 4-氧代-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟-2-羟基十一烷基)氨基]异巴豆酸.
Recorded applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category.
Category: Organic Chemicals.
Independent reference data for 4-oxo-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]isocrotonic acid (CAS 97259-81-9), compiled from public chemistry databases.
| CAS 号 | 97259-81-9 |
|---|---|
| PubChem CID | 6433056 |
| 分子式 | C15H10F17NO4 |
| IUPAC 名称 | (Z)-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]-4-oxobut-2-enoic acid |
| UNII（FDA） | NS00065440 |
| Molecular Weight | 591.22 |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 12 |
| Exact Mass | 591.0338366 |
| Monoisotopic Mass | 591.0338366 |
| Topological Polar Surface Area | 86.6 |
| Heavy Atom Count | 37 |
97259-81-9; EINECS 306-444-4; 4-Oxo-4-((4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino)isocrotonic acid; 4-Oxo-4-[(3-(perfluorooctyl)-2-hydroxypropyl)amino]-(Z)-2-butenoic acid; DTXSID70893305; XNKYZUYJMBXTGL-UPHRSURJSA-N; NS00065440; (2Z)-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-hydroxyundecyl)amino]-4-oxobut-2-enoic acid
4-氧代-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟-2-羟基十一烷基)氨基]异巴豆酸 · CAS 97259-81-9 · C15H10F17NO4. UNII NS00065440.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-氧代-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟-2-羟基十一烷基)氨基]异巴豆酸