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1,4,5,6-Tetrahydro-1,2-dimethylpyrimidin
DMTHPM · 1,4,5,6-TETRAHYDRO-1,2-DIMETHYLPYRIMIDINE · Pyrantel Impurity D · 1,2-Dimethyl-1,4,5,6 · Phenytoin Impurity 12 · -1,4,5,6-tetrahydropyrimidine · Pyrantel impurity D (Y0001817) · Pyrantel embonate EP Impurity D
Identifikatoren & physikalische Daten
| CAS No. | 4271-96-9 |
|---|---|
| Summenformel | C6H12N2 |
| Durchschnittliche Molmasse | 112,17 g/mol |
| Monoisotopische Masse | 112,10004838 g/mol |
| SMILES | CC1=NCCCN1C |
| InChIKey | ZFDWWDZLRKHULH-UHFFFAOYSA-N |
| PubChem CID | 77953 |
| EC No. | 224-262-2 |
| DTXSID | DTXSID3063382 |
| Lokaler Name | 1,4,5,6-Tetrahydro-1,2-dimethylpyrimidin |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 107 |
| Siedepunkt | 125°C (115 mmHg) |
| Dichte | 0,98 g/cm3 |
| Flammpunkt | 73°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Acetone (Sparingly), Chloroform (Sparingly), DMSO (Sparingly), Methanol(Sparingly) |
| pKa (Säurekonstante) | 13.42±0.20(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| Wichte | 0.982 (20/4℃) |
| InChI | 1S/C6H12N2/c1-6-7-4-3-5-8(6)2/h3-5H2,1-2H3 |
| InChIKey | ZFDWWDZLRKHULH-UHFFFAOYSA-N |
| CAS Datenbank | 4271-96-9(CAS DataBase Reference) |
| EPA chemische Informationen | Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl- (4271-96-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 111 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-Status: Active Update: 09-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17760 |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3267 |
| Zollcode | 2933599590 |
| R-Sätze (R) | 22-34 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 23-26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine is a reagent used in the synthesis of pyrantel derivatives with nematocidal activity. Also used as a reactant in the preparation of hapten antibodies that evoke terpenoid cyclization.