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CHEBI:83507 - N-ethylperfluorooctane sulfonamidoacetic acid
| Formula | C12H8F17NO4S |
| Net Charge | 0 |
| Average Mass | 585.232 |
| Monoisotopic Mass | 584.99026 |
| SMILES | CCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| InChI | InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32) |
| InChIKey | CKRXVVGETMYFIO-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-ethylperfluorooctane sulfonamidoacetic acid (CHEBI:83507) has role environmental contaminant (CHEBI:78298) |
| N-ethylperfluorooctane sulfonamidoacetic acid (CHEBI:83507) has role xenobiotic (CHEBI:35703) |
| N-ethylperfluorooctane sulfonamidoacetic acid (CHEBI:83507) is a monocarboxylic acid (CHEBI:25384) |
| N-ethylperfluorooctane sulfonamidoacetic acid (CHEBI:83507) is a organofluorine compound (CHEBI:37143) |
| N-ethylperfluorooctane sulfonamidoacetic acid (CHEBI:83507) is a sulfonamide (CHEBI:35358) |
| Synonym | Source |
|---|---|
| 2-(N-ethyl-perfluorooctane sulfonamido) acetic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1811212 | Reaxys |
| CAS:2991-50-6 | ChemIDplus |