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2,5-Dimethoxybenzenemethanamine
(2,5-dimethoxyphenyl)methanamine · Zilain · RARECHEM AL BW 0348 · 2,5-DimethoxybenzyL · 2,5-Dimethoxybenzyla · 2,5-DIMETHOXYBENZYLAMINE · 2,5-dimethoxy-benzylamin · 2,5-Dimethoxybenzylamine>2,5-Dimethoxybenzylamine ,98%
Identifikatoren & physikalische Daten
| CAS No. | 3275-95-4 |
|---|---|
| Summenformel | C9H13NO2 |
| Durchschnittliche Molmasse | 167,2 g/mol |
| Monoisotopische Masse | 167,09462866 g/mol |
| SMILES | COc1ccc(OC)c(CN)c1 |
| InChIKey | UWMCHDDHXMFKMA-UHFFFAOYSA-N |
| PubChem CID | 18652 |
| EC No. | 628-304-4 |
| DTXSID | DTXSID10186420 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 130 |
| Siedepunkt | 95 °C/0.2 mmHg (lit.) |
| Dichte | 1.11 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.548(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 9.12±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| InChI | 1S/C9H13NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,6,10H2,1-2H3 |
| InChIKey | UWMCHDDHXMFKMA-UHFFFAOYSA-N |
| SMILES | COc1ccc(OC)c(CN)c1 |
| CAS Datenbank | 3275-95-4(CAS DataBase Reference) |
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 42 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29222990 |
| RTECS-Nr. | DP4430000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | IRRITANTSkin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,5-Dimethoxybenzylamine is used in the preparation of pyrrolo[2,3-b]pyrazine-7-carboxamide derivatives as JAK and SYK inhibitors for the treatment of autoimmune and inflammatory diseases.