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3,4,5-Trimethoxybenzylamin
AKOS BBS-00002737 · RARECHEM AL BW 0020 · 3,4,5-TRIMETHOXYBENZYLAMINE · 3,4,5-TRIMETHOXYBENZYLAMINE HCL · 3,4,5-Trimethoxybenzylamine 98% · 3,4,5-Trimethoxybenzylamine,96% · 3,4,5-TRIMETHOXYBENZYLAMINE, ~98% · 3,4,5-Trimethoxybenzenemethanamine
Identifikatoren & physikalische Daten
| CAS No. | 18638-99-8 |
|---|---|
| Summenformel | C10H15NO3 |
| Durchschnittliche Molmasse | 197,23 g/mol |
| Monoisotopische Masse | 197,10519334 g/mol |
| SMILES | COc1cc(CN)cc(OC)c1OC |
| InChIKey | YUPUSBMJCFBHAP-UHFFFAOYSA-N |
| PubChem CID | 87736 |
| EC No. | 242-468-0 |
| DTXSID | DTXSID10171891 |
| Lokaler Name | 3,4,5-Trimethoxybenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 53,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 151 |
| Schmelzpunkt | 227-229 °C(Solv: N,N-dimethylformamide (68-12-2)) |
| Siedepunkt | 121 °C/0.05 mmHg (lit.) |
| Dichte | 1.155 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.548(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 9.25±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.155 |
| Farbe | Clear colorless to slightly yellow |
| Löslichkeit | Not miscible or difficult to mix in water. |
| BRN | 1107570 |
| InChI | 1S/C10H15NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3 |
| InChIKey | YUPUSBMJCFBHAP-UHFFFAOYSA-N |
| SMILES | COc1cc(CN)cc(OC)c1OC |
| CAS Datenbank | 18638-99-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, 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, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (87.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2735 |
| Zollcode | 29222990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-37/39-36/37/39 |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,4,5-Trimethoxybenzylamine is used to study the structure-property relationships of surfaces that resist the adsorption of protein.