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Cyclooctylamin
cyclooctanamine · Cylcooctylamine · CYCLOOCTYLAMINE · AMINOCYCLOOCTANE · 1-Cyclooctanamine · AKOS BBS-00003592 · TIMTEC-BB SBB004245 · Cyclooctylamine >Cyclooctylamine 97%
Identifikatoren & physikalische Daten
| CAS No. | 5452-37-9 |
|---|---|
| Summenformel | C8H17N |
| Durchschnittliche Molmasse | 127,23 g/mol |
| Monoisotopische Masse | 127,13609954 g/mol |
| SMILES | NC1CCCCCCC1 |
| InChIKey | HSOHBWMXECKEKV-UHFFFAOYSA-N |
| PubChem CID | 2903 |
| ChEMBL | CHEMBL1170791 |
| EC No. | 226-694-7 |
| DTXSID | DTXSID9063900 |
| Lokaler Name | Cyclooctylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 63 |
| Schmelzpunkt | -48 °C (lit.) |
| Siedepunkt | 190 °C (lit.) |
| Dichte | 0.928 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.482(lit.) |
| Flammpunkt | 145 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 10.2g/lSoluble in water. 10.2 g/L at 20°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 11.03±0.20(Predicted) |
| Farbe | Clear colorless to light yellow |
| pH | 11.5 (4g/l, H2O, 20℃) |
| BRN | 2689120 |
| InChI | 1S/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H2 |
| InChIKey | HSOHBWMXECKEKV-UHFFFAOYSA-N |
| SMILES | NC1CCCCCCC1 |
| CAS Datenbank | 5452-37-9(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclooctanamine(5452-37-9) |
| EPA chemische Informationen | Cyclooctanamine (5452-37-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Cyclooctylamine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29213000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Cyclooctylamine is used as pharmaceutical intermediates. It is used as a component of urea herbicides, e.g., cycluron (BASF). Its chemical behavior is analogous to that of other primary amines.