HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(4-Methylpiperazin-1-yl)propylamin
3-(4-METHYLPIPERAZIN-1-YL)PROPAN-1-AMINE · 4-Methyl-1-piperazinepropanamine 3HCl · AKOS BC-0592 · AKOS B024994 · RARECHEM AL BW 2461 · ART-CHEM-BB B024994 · TIMTEC-BB SBB007289 · 1-(CYCLOPROPYLMETHYL)PIPERAZIN
Identifikatoren & physikalische Daten
| CAS No. | 4572-03-6 |
|---|---|
| Summenformel | C8H19N3 |
| Durchschnittliche Molmasse | 157,26 g/mol |
| Monoisotopische Masse | 157,15789761 g/mol |
| SMILES | CN1CCN(CCCN)CC1 |
| InChIKey | RGUABPVONIGVAT-UHFFFAOYSA-N |
| PubChem CID | 78328 |
| ChEMBL | CHEMBL158701 |
| EC No. | 224-954-4 |
| DTXSID | DTXSID0063527 |
| Lokaler Name | 3-(4-Methylpiperazin-1-yl)propylamin |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 97,5 |
| Siedepunkt | 113-114°C 13mm |
| Dichte | 0,924 g/cm3 |
| Brechungsindex | 1.4810 |
| Flammpunkt | 113-114°C/13mm |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 10.39±0.10(Predicted) |
| BRN | 105964 |
| InChI | InChI=1S/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3 |
| InChIKey | RGUABPVONIGVAT-UHFFFAOYSA-N |
| SMILES | N1(CCCN)CCN(C)CC1 |
| CAS Datenbank | 4572-03-6(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Piperazinepropanamine, 4-methyl- (4572-03-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (85.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (85.7%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2735 |
| Zollcode | 29335990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
1-(3-Aminopropyl)-4-methylpiperazine is used as a precursor in organic synthesis for the preparation of furan-2-carboxylic acid [3-(4-methyl-piperazin-1-yl)-propyl]-amide by reacting with furan-2-carbonyl chloride.