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1,4,7,10-Tetraazacyclododecane
1,4,7,10-TETRAAZACYCLODODECANE · 1,4,7,10-Tetrazacyclododecane · Cyclea racemosa Ning · 1,4,7,10-Tetracyclododecane · Gm-D · CYCLEN · SDR3E1 · NSC 629374
Identifikatoren & physikalische Daten
| CAS No. | 294-90-6 |
|---|---|
| Summenformel | C8H20N4 |
| Durchschnittliche Molmasse | 172,27 g/mol |
| Monoisotopische Masse | 172,16879664 g/mol |
| SMILES | C1CNCCNCCNCCN1 |
| InChIKey | QBPPRVHXOZRESW-UHFFFAOYSA-N |
| PubChem CID | 64963 |
| ChEMBL | CHEMBL19880 |
| ChEBI | CHEBI:37391 |
| EC No. | 425-450-9 |
| DTXSID | DTXSID60183621 |
Chemische & physikalische Eigenschaften
| XLogP | -2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 48,1 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 65,1 |
| Schmelzpunkt | 110-113 °C (lit.) |
| Siedepunkt | 292.61°C (rough estimate) |
| Dichte | 1.0415 (rough estimate) |
| Dampfdruck | 0.004Pa at 20℃ |
| Brechungsindex | 1.5872 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)almost transparency |
| pKa (Säurekonstante) | 10.53±0.20(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Almost white to slightly yellow |
| BRN | 606114 |
| Stabilität | hygroscopic |
| InChI | 1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2 |
| InChIKey | QBPPRVHXOZRESW-UHFFFAOYSA-N |
| SMILES | C1CNCCNCCNCCN1 |
| LogP (Verteilungskoeffizient) | -0.63 at 20℃ |
| CAS Datenbank | 294-90-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 21-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/301271,4,7,10-Tetraazacyclododecane: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (97.9%)Acute Tox. 4 (100%)Skin corrosion - category 1BAcute Tox. 4 * |
| F | 3-9-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1759 |
| Zollcode | 29339900 |
| RTECS-Nr. | XA5253000 |
| R-Sätze (R) | 36/38-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
Cyclen is an azamocrocycle, which can be used in the development of fluorescent nanosensors for the detection of metal ions.