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HCID 62946Erstellt: 27. Oktober 2026
[R-(R*,R*)]-α-[1-(Methylamino)ethyl]benzylalkohol
CPDD 0049 · (-)-y-Ephedrine · (1r,2r)-ephedrine · (-)-PSI-EPHEDRINE · (-)-threo-Ephedrine · (-)-Pseudoephedrine · PSEUDOEPHEDRINE BASE · R,R(-)-PSEUDOEPHEDRINE
https://huagongshe.com/de/chemical/62946
Identifikatoren & physikalische Daten
| CAS No. | 321-97-1 |
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| Summenformel | C10H15NO |
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| Durchschnittliche Molmasse | 165,23 g/mol |
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| Monoisotopische Masse | 165,1153641 g/mol |
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| SMILES | CN[C@H](C)[C@H](O)c1ccccc1 |
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| InChIKey | KWGRBVOPPLSCSI-SCZZXKLOSA-N |
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| PubChem CID | 62946 |
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| ChEMBL | CHEMBL2110905 |
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| EC No. | 206-292-8 |
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| DTXSID | DTXSID90185895 |
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| Lokaler Name | [R-(R*,R*)]-α-[1-(Methylamino)ethyl]benzylalkohol |
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Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
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| Polarare Oberfläche (TPSA) | 32,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 121 |
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| Löslichkeit | >24.8 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 118-120 °C(lit.) |
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| Siedepunkt | 255.0±0.0 °C(Predicted) |
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| Dichte | 1.015±0.06 g/cm3(Predicted) |
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| Flammpunkt | 9℃ |
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| Lagerbedingungen | Refrigerator (+4°C) |
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| pKa (Säurekonstante) | 13.96±0.20(Predicted) |
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| BRN | 2803417 |
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| LogP (Verteilungskoeffizient) | 0.683 at 25℃ |
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| CAS Datenbank | 321-97-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 145 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 12-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11943 |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN1230 - class 3 - PG 2 - Methanol, solution |
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| Zollcode | 29394200 |
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| RTECS-Nr. | UL5750500 |
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| R-Sätze (R) | 20/21/22-36/37/38-39/23/24/25-23/24/25-11 |
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| Gefahrensymbole | Xn,T,F |
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| Sicherheitshinweise (S) | 26-37/39-45-36/37-16-7 |
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![Molekülstruktur von [R-(R*,R*)]-α-[1-(Methylamino)ethyl]benzylalkohol](/img/chemical/62946.png)