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3-Methoxy-N,N-dimethylbenzenamine
3-METHOXY-N,N-DIMETHYLANILINE · 3-DIMETHYLAMINOANISOLE · Neostigmine Impurity 24 · N,N-DIMETHYL-M-ANISIDINE · m-(Dimethylamino)anisole · 3-DIMETHYLAMINOANISOLE 98% · N,N-Dimethyl-m-anisidine,97% · N,N-Dimethyl-m-anisidine >N,N-Dimethyl-3-methoxyaniline
Identifikatoren & physikalische Daten
| CAS No. | 15799-79-8 |
|---|---|
| Summenformel | C9H13NO |
| Durchschnittliche Molmasse | 151,21 g/mol |
| Monoisotopische Masse | 151,09971404 g/mol |
| SMILES | COc1cccc(N(C)C)c1 |
| InChIKey | MOYHVSKDHLMMPS-UHFFFAOYSA-N |
| PubChem CID | 139977 |
| EC No. | 677-877-7 |
| DTXSID | DTXSID00166337 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 114 |
| Ionization Efficiency | Positive3.892.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Siedepunkt | 113-114 °C (6 mmHg) |
| Dichte | 1.031 |
| Brechungsindex | 1.5575-1.5595 |
| Flammpunkt | 113-114°C/6mm |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 4+-.0.10(Predicted) |
| Wichte | 1.03 |
| Farbe | White to Yellow to Green |
| Löslichkeit | Not miscible or difficult to mix in water. |
| BRN | 1423591 |
| InChI | InChI=1S/C9H13NO/c1-10(2)8-5-4-6-9(7-8)11-3/h4-7H,1-3H3 |
| InChIKey | MOYHVSKDHLMMPS-UHFFFAOYSA-N |
| SMILES | C1(N(C)C)=CC=CC(OC)=C1 |
| CAS Datenbank | 15799-79-8(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Methoxy-N,N-dimethylbenzenamine(15799-79-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 2810 |
| Zollcode | 2922290090 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37/39-26-23 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralSkin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N,N-Dimethyl-m-anisidine is a phenyl amide with antineoplastic and antibacterial properties. It can be used to produce C20H19NO4. It will need reagent tributyl orthoformate and solvent propan-2-ol with reaction time of 90 min.