4-Methylpiperazin-1-amin
4-methylpiperazin-1-amine · AMPRZ · 1A4MP · 1-Amino-4-Methyl · TIMTEC-BB SBB004299 · AMINOMETHYLPIPERAZINE · LABOTEST-BB LT00005082 · 1-piperazinylmethanamine
Identifikatoren & physikalische Daten
| CAS No. | 6928-85-4 |
|---|---|
| Summenformel | C5H13N3 |
| Durchschnittliche Molmasse | 115,18 g/mol |
| Monoisotopische Masse | 115,11094742 g/mol |
| SMILES | CN1CCN(N)CC1 |
| InChIKey | RJWLLQWLBMJCFD-UHFFFAOYSA-N |
| PubChem CID | 81349 |
| ChEMBL | CHEMBL3560514 |
| ChEBI | CHEBI:230450 |
| EC No. | 230-053-7 |
| DTXSID | DTXSID3057808 |
| Lokaler Name | 4-Methylpiperazin-1-amin |
Chemische & physikalische Eigenschaften
| XLogP | -1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 66,1 |
| Stoffklassen | Nitrogen Compounds -> Piperazines |
| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
| Siedepunkt | 172-175 °C (lit.) |
| Dichte | 0.957 g/mL at 25 °C (lit.) |
| Dampfdruck | 1.29hPa at 25℃ |
| Brechungsindex | 1.4835-1.4855 |
| Flammpunkt | 62 °C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | water: solublemiscible |
| Aggregatzustand | Viscous Solution |
| pKa (Säurekonstante) | 7+-.0.42(Predicted) |
| Farbe | Clear |
| BRN | 103334 |
| InChI | 1S/C5H13N3/c1-7-2-4-8(6)5-3-7/h2-6H2,1H3 |
| InChIKey | RJWLLQWLBMJCFD-UHFFFAOYSA-N |
| SMILES | CN1CCN(N)CC1 |
| LogP (Verteilungskoeffizient) | -1.61 at 25℃ |
| CAS Datenbank | 6928-85-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Amino-4-methylpiperazine(6928-85-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (32%): Harmful if swallowed [Warning Acute toxicity, oral]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 125 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Piperazinamine, 4-methyl-Status: Active Update: 16-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/197741-Amino-4-methylpiperazine: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritantHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (32%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2733 |
| Zollcode | 29335995 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Gefahrenklasse | 3Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Amino-4-methylpiperazine has been used:in synthesis of pyrazolo-pyrazine, -pyridine derivatives and 2-[(4-methylpiperazin-1-yl)iminomethyl]phenolas a solvating and stabilizing agent in the preparation of uniform Ag nanoparticles (<10nm)synthesis of N-(4-Fluorobenzylidene)-4-methylpiperazin1-aminesynthesis of 4-Methyl-N-(3,4,5-trimethoxybenzylidene) piperazin-1-aminesynthesis of N-(3,4-Dichlorobenzylidene)-4- methylpiperazin-1-aminesynthesis of N-(4-(Diethylamino)benzylidene)-4- methylpiperazin-1-aminesynthesis of N-(2,5-Dimethoxybenzylidene)-4- methylpiperazin-1-aminesynthesis of 4-Methyl-N-((5-nitrofuran-2- yl)methylene)piperazin-1-amine
Herstellung & Synthese
synthetische
1-Amino-4-methylpiperazine is obtained from piperazine hexahydrate through the steps of methylation, hydrolysis, nitrosation and reduction.1-Amino-4-methylpiperazine is synthesized by chlorination of methyl(diethanol)amine (I) and subsequent cyclization of the di(chloroethyl)amine (II) obtained in aqueous hydrazine.