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2-Methoxybenzylamin
(2-Methoxyphenyl)methanamine · O-ANISYLAMINE · AKOS BBS-00003620 · RARECHEM AL BW 0150 · O-METHOXYBENZYLAMINE · 2-METHOXYBENZYLAMINE · 2-AMINOMETHYL-ANISOLE · (o-Anisylmethyl)amine
Identifikatoren & physikalische Daten
| CAS No. | 6850-57-3 |
|---|---|
| Summenformel | C8H11NO |
| Durchschnittliche Molmasse | 137,18 g/mol |
| Monoisotopische Masse | 137,08406397 g/mol |
| SMILES | COc1ccccc1CN |
| InChIKey | PXJACNDVRNAFHD-UHFFFAOYSA-N |
| PubChem CID | 81292 |
| EC No. | 229-941-7 |
| DTXSID | DTXSID60218629 |
| Lokaler Name | 2-Methoxybenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 95,3 |
| Schmelzpunkt | 60 °C |
| Siedepunkt | 227 °C724 mm Hg(lit.) |
| Dichte | 1.051 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.548(lit.) |
| Flammpunkt | 212 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| pKa (Säurekonstante) | 9.15±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.061.051 |
| Farbe | Clear colorless to slightly yellow |
| pH | >7 (H2O) |
| Löslichkeit | slightly soluble |
| BRN | 1100448 |
| InChI | 1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3 |
| InChIKey | PXJACNDVRNAFHD-UHFFFAOYSA-N |
| SMILES | COc1ccccc1CN |
| CAS Datenbank | 6850-57-3(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Methoxybenzylamine(6850-57-3) |
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 50 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 2-Methoxybenzylamine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1A (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29221980 |
| R-Sätze (R) | 34-37 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Methoxybenzylamine is a 2-methoxy derivative of benzylamine. 2-Methoxybenzylamine is one the the metabolites detected in urine after metabolism of dopamine analogues. 2-Methoxybenzylamine is used in the preparation of GABAA receptor ligands as analgesic agents.