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Octopamin
p-Octopamine · Norden · Octapamine · OctopaMine-d3 · 1-(4-HYDROXYPHENYL)-2-AMINOETHANOL · ND-50 · ND 50 · C04227
Identifikatoren & physikalische Daten
| CAS No. | 104-14-3 |
|---|---|
| Summenformel | C8H12ClNO2 |
| Durchschnittliche Molmasse | 189,64 g/mol |
| Monoisotopische Masse | 189,0556563 g/mol |
| SMILES | Cl.NCC(O)c1ccc(O)cc1 |
| InChIKey | PUMZXCBVHLCWQG-UHFFFAOYSA-N |
| PubChem CID | 102484 |
| ChEMBL | CHEMBL1367565 |
| EC No. | 212-216-4 |
| DTXSID | DTXSID8033803 |
| Lokaler Name | Octopamin |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 66,5 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 111 |
| Löslichkeit | >28.4 [ug/mL] (The mean of the results at pH 7.4)Water (Easy) |
| Schmelzpunkt | 157-158 °C |
| Siedepunkt | 276.1°C (rough estimate) |
| Dichte | 1.1577 (rough estimate) |
| Brechungsindex | 1.5010 (estimate) |
| pKa (Säurekonstante) | pKa 8.88 (Uncertain)9.53 (Uncertain) |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| CAS Datenbank | 104-14-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: DL-α-(aminomethyl)-p-hydroxybenzylic alcohol hydrochloride (EC: 212-216-4) |
| Hazard Classes and Categories | Acute Tox. 4 (98%) |
| UN-Transportnummer | 3249 |
| Toxizität | LD50 oral in rat: 1240mg/kg |
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Beschreibung
An alkaloid found in annual rye grass, this base has been suggested as a possible precursor of annuloline (q.v.).
Verwenden
Octopamine is a biogenic monoamine structurally related to Noradrenaline (N661038), it acts as a neurohormone, neuromodulator and a neurotransmitter in invertebrates.