Cyclohex-1,2-ylendiamintetraessigsure
1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid
Grundinformationen
- CAS
482-54-2- Standard-SMILES
O=C(O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O- InChIKey
FCKYPQBAHLOOJQ-UHFFFAOYSA-N- Summenformel
- C14H22N2O8
- Durchschnittliche Molmasse
- 346,33 g/mol
- Monoisotopische Masse
- 346,13761566
Überblick
Cyclohexane-1,2-diaminetetraacetic acid is an organooxygen compound. It is functionally related to a tetracarboxylic acid.
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid
- IUPAC
- 2-[[2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
- Lokaler Name
- Cyclohex-1,2-ylendiamintetraessigsure
- Englischer Name
- CDTA
- Summenformel
- C14H22N2O8
- Molmasse
- 346.33
Namen und Synonyme
482-54-2CyDTAKomplexon IVOCTAGlycine, N,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)-Cyclohexanediamine tetraacetic acido-Cyclohexanediaminetetraacetic acidCHEL 6001,2-Cyclohexanediaminetetraacetic acid1,2-Diaminocyclohexanetetraacetic acid1,2-Cyclohexylenediaminetetraacetic acid1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid
Weitere Namen anzeigen
TRANS-1,2-CYCLOHEXANEDIAMINETETRAACETIC ACIDINBCKSBCchel600idranal ivTRANS-CDTATitriplexIVcomplexoniv
DTXSID80862002Glycine, N,N'-1,2-cyclohexanediylbis(N-(carboxymethyl)-RefChem:1052219DTXCID10810839207-582-71,2-Cyclohexylenedinitrilotetraacetic acidCDTACGTA
Datenbank-Bezeichner
- CAS
482-54-2- PubChem CID
- 10213
- DTXSID
DTXSID80862002- ChEBI
CHEBI:188859- EC Number
- 207-582-7
- Nikkaji
- J85.236H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -4,5
- Polarare Oberfläche (TPSA)
- 156 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 419
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Amino Carboxylic Acids
CosmeticsChelating
Physical DescriptionTan solid; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 215 °C · 215 °C
- Siedepunkt
- 481.08 °C · 481.08°C (rough estimate)
- Dichte
- 1.253 · 1.2530 (rough estimate)
- Brechungsindex
- 1.511 · 1.5110 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.78 · 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
- 0.07 · 0.070 (est)
- EPA chemische Informationen
- -1 · Glycine, N,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)- (482-54-2)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 96.9% (63 of 65) of all reports.
Not Classified
Aggregated GHS information provided per 65 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
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
Hazards SummaryCauses 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 CategoriesNot Classified
Toxikologische Informationen
TreatmentThe antibiotics metronidazole and vancomycin have been shown to be effective against Clostridium difficile. (L1730)
Health EffectsToxins A is an enterotoxin from Clostridium difficile and causes antibiotic-associated diarrhea and pseudomembranous colitis. (A341 , A340, L1730)
Exposure RoutesIngestion (L1816) ; inhalation (L1816) ; dermal (L1816)
Toxicity Summary
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 SymptomsSymptoms 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 ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Toxicity DataLD50: 500 ng/kg (Intraperitoneal, Mouse) (A2855)
Sicherheitsdaten
- tsca
- TSCA listed
- RTECS-Nr.
- AG5000000
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
Free toxin may be removed by opsonization via the reticuloendothelial system (primarily the liver and kidneys) or it may be degraded through cellular internalization via the lysosomes. Lysosomes are membrane-enclosed organelles that contain an array of digestive enzymes, including several proteases.
Verwendung und Herstellung
UsesToxins A and B are toxins from Clostridium difficile; they are the major pathogenicity factors of the antibiotic-associated diarrhea and the pseudomembranous colitis. (A341 , A340)
Use ClassificationCosmetics -> Chelating
General Manufacturing InformationGlycine, N,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)-: ACTIVE
Anwendungen
Verwenden1,2-Cyclohexylenedinitrilotetraacetic Acid is used as a chelating agent in the phytoextraction of Ni from contaminated soil.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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