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Tetrahydro-1,3-dimethyl-1H-pyrimidin-2-on
DMPU · 1,3-Dimethyltetrahydropyrimidin-2(1H)-one · N,N'-Dimethylpropyleneurea · 1,3-Dimethyl-1,3-diazinan-2-one · N,N'-Dimethyltrimethyleneurea · 1,3-dimethyl-perhydro-2-pyrimidinone · 1,3-DIMETHYLTETRAHYDRO-2-PYRIMIDINONE · 1,3-Dimethyl-2-oxohexahydropyrimidine
Identifikatoren & physikalische Daten
| CAS No. | 7226-23-5 |
|---|---|
| Summenformel | C6H12N2O |
| Durchschnittliche Molmasse | 128,17 g/mol |
| Monoisotopische Masse | 128,094963 g/mol |
| SMILES | CN1CCCN(C)C1=O |
| InChIKey | GUVUOGQBMYCBQP-UHFFFAOYSA-N |
| PubChem CID | 81646 |
| ChEMBL | CHEMBL12284 |
| EC No. | 230-625-6 |
| DTXSID | DTXSID3074575 |
| Lokaler Name | Tetrahydro-1,3-dimethyl-1H-pyrimidin-2-on |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 112 |
| Stoffklassen | Nitrogen Compounds -> Pyrimidines |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Colorless odorless liquidHygroscopic[Alfa Aesar MSDS] |
| Schmelzpunkt | -20 °C |
| Siedepunkt | 146 °C44 mm Hg(lit.) |
| Dichte | 1.06 g/mL at 25 °C(lit.) |
| Dampfdruck | 0.5 hPa (57 °C) |
| Brechungsindex | n20/D 1.488(lit.) |
| Flammpunkt | 121 °C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)soluble |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | -0.65±0.20(Predicted) |
| Farbe | Clear colorless to slightly yellow |
| pH | 11 (100g/l, H2O, 20℃) |
| Explosionsgrenze | 1.6-9.3%(V) |
| BRN | 110562 |
| Dielektrizitätskonstante | 36.119999999999997 |
| Stabilität | Hygroscopic |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3 |
| InChIKey | GUVUOGQBMYCBQP-UHFFFAOYSA-N |
| SMILES | CN1CCCN(C)C1=O |
| LogP (Verteilungskoeffizient) | 0.05 at 25℃ |
| CAS Datenbank | 7226-23-5(CAS DataBase Reference) |
| EPA chemische Informationen | 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl- (7226-23-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P318, P330, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 04-05-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/113911,3-Dimethyltetrahydro-2(1H)-pyrimidinone: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-: Human health tier II assessment |
| Gefahrenübersicht | May cause serious eye injuryHarmful by ingestionSuspected of being toxic to fertility or the developing child[ECHA REACH Registrations] Causes somnolence, ataxia, and respiratory stimulation in intraperitoneal lethal-dose studies of mice (LD50 = 1,300 mg/kg)[RTECS] A mild skin and severe eye irritant that may cause serious eye injuryPossible reproductive toxicant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4Repr. 2 |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29335995 |
| RTECS-Nr. | UW7582500 |
Anwendungen & Verwendung
Verwenden
1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone is a versatile organic solvent in and less toxic than HMPA. It is mainly applied in the synthesis of pharmaceuticals and agrochemicals. DMPU is also used in the electronics industry.