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Cyclohex-1,2-ylendiamintetraessigsure
octa · TRANS-1,2-CYCLOHEXANEDIAMINETETRAACETIC ACID · cgta · INBC · KSBC · chel600 · idranal iv · TRANS-CDTA
Identifikatoren & physikalische Daten
| CAS No. | 482-54-2 |
|---|---|
| Summenformel | C14H22N2O8 |
| Durchschnittliche Molmasse | 346,33 g/mol |
| Monoisotopische Masse | 346,13761566 g/mol |
| SMILES | O=C(O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O |
| InChIKey | FCKYPQBAHLOOJQ-UHFFFAOYSA-N |
| PubChem CID | 10213 |
| ChEBI | CHEBI:188859 |
| EC No. | 207-582-7 |
| DTXSID | DTXSID80862002 |
| Lokaler Name | Cyclohex-1,2-ylendiamintetraessigsure |
Chemische & physikalische Eigenschaften
| XLogP | -4,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 156 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 10 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 419 |
| Stoffklassen | Nitrogen Compounds -> Amino Carboxylic Acids |
| Kosmetika | Chelating |
| Physical Description | Tan solid[Acros Organics MSDS] |
| Schmelzpunkt | 215 °C |
| Siedepunkt | 481.08°C (rough estimate) |
| Dichte | 1.2530 (rough estimate) |
| Brechungsindex | 1.5110 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 1.78±0.10(Predicted) |
| Kosmetik-Inhaltsstoffe Funktionen | CHELATING |
| InChI | InChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24) |
| InChIKey | FCKYPQBAHLOOJQ-UHFFFAOYSA-N |
| SMILES | C1(N(CC(O)=O)CC(O)=O)CCCCC1N(CC(O)=O)CC(O)=O |
| LogP (Verteilungskoeffizient) | 0.070 (est) |
| EPA chemische Informationen | Glycine, N,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)- (482-54-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 96.9% (63 of 65) of all reports.Not ClassifiedAggregated GHS information provided per 65 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Glycine, N,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)-Glycine, N,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes convulsions, aggression, and chronic pulmonary edema in intraperitoneal lethal-dose studies of rats (LD50 = 413 mg/kg)[RTECS] May cause mild irritation[Acros Organics MSDS] See Edetic acid. See 1,3-Cyclohexanediamine. |
| Hazard Classes and Categories | Not Classified |
| Treatment | The antibiotics metronidazole and vancomycin have been shown to be effective against Clostridium difficile. (L1730) |
| Gesundheitliche Auswirkungen | Toxins A is an enterotoxin from Clostridium difficile and causes antibiotic-associated diarrhea and pseudomembranous colitis. (A341 , A340, L1730) |
| Expositionspfade | Ingestion (L1816)inhalation (L1816)dermal (L1816) |
| Toxizitätsübersicht | Rho GTPases are activated by glucosylation (for example RhoA at Thr37). The toxins catalyze the transfer of a glucosyl moiety from UDP-glucose to the Rho GTPases. The covalent attachment of the glucose moiety to a conserved threonine within the effector region of the GTPases renders the Rho-GTPases functionally inactive. As a consequence, the actin cytoskeleton is disaggregated and this is accompanied by cell rounding and formation of an arborized morphology. (A341, A340) |
| Signs and Symptoms | Symptoms of Clostridium difficile infection include bloating, constipation, and diarrhea with abdominal pain, which may become severe. Latent symptoms often mimic some flu-like symptoms. (L1730) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
Anwendungen & Verwendung
Verwenden
1,2-Cyclohexylenedinitrilotetraacetic Acid is used as a chelating agent in the phytoextraction of Ni from contaminated soil.