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4,6-Dimethoxypyrimidin-2-amin
ADMP · 4,6-Dimethoxypyrimidin-2-amine · 4,6-Dimethoxy-2-aminopyrimidine · 6-diMethoxypyriMidine · 4,6-DIMETHOXY-PYRIMIDIN-2-YLAMINE · 4,6-dime · 2-AMino-4.6-di · BUTTPARK 97\12-85
Identifikatoren & physikalische Daten
| CAS No. | 36315-01-2 |
|---|---|
| Summenformel | C6H9N3O2 |
| Durchschnittliche Molmasse | 155,15 g/mol |
| Monoisotopische Masse | 155,06947653 g/mol |
| SMILES | COc1cc(OC)nc(N)n1 |
| InChIKey | LVFRCHIUUKWBLR-UHFFFAOYSA-N |
| PubChem CID | 118946 |
| EC No. | 252-969-6 |
| DTXSID | DTXSID1074620 |
| Lokaler Name | 4,6-Dimethoxypyrimidin-2-amin |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 70,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 110 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Schmelzpunkt | 94-96 °C (lit.) |
| Siedepunkt | 278.95°C (rough estimate) |
| Dichte | 1.3092 (rough estimate) |
| Brechungsindex | 1.6500 (estimate) |
| Lagerbedingungen | 2-8°C(protect from light) |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.02±0.10(Predicted) |
| Farbe | White |
| InChI | InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9) |
| InChIKey | LVFRCHIUUKWBLR-UHFFFAOYSA-N |
| SMILES | C1(N)=NC(OC)=CC(OC)=N1 |
| CAS Datenbank | 36315-01-2(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Pyrimidinamine, 4,6-dimethoxy- (36315-01-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 5.3% (11 of 206) of reports.WarningH302+H312+H332 (13.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 206 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Commission Regulation No 844/2012PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 27-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20424 |
| Hazard Classes and Categories | Acute Tox. 4 (20.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29335995 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Amino-4,6-dimethoxypyrimidine is a building block for various chemical synthesis. Attributes PIS available on request. Please contact us. Contact