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N,N'-Bis(3-aminopropyl)piperazin
3,3'-(Piperazine-1,4-diyl)bis(propan-1-amine) · BAPPRZ · LABOTEST-BB LT00454560 · BIS AMINOPROPYL PIPIRAZINE · 1,4-Piperazinedipropanamine · 1,4-PIPERAZINEBIS(PROPYLAMINE) · 1,4-DI(3-AMINOPROPYL)PIPERAZINE · 1,4-(BIS AMINOPROPYL) PIPERAZINE
Identifikatoren & physikalische Daten
| CAS No. | 7209-38-3 |
|---|---|
| Summenformel | C10H24N4 |
| Durchschnittliche Molmasse | 200,32 g/mol |
| Monoisotopische Masse | 200,20009678 g/mol |
| SMILES | NCCCN1CCN(CCCN)CC1 |
| InChIKey | XUSNPFGLKGCWGN-UHFFFAOYSA-N |
| PubChem CID | 81629 |
| ChEMBL | CHEMBL41307 |
| EC No. | 230-589-1 |
| DTXSID | DTXSID8022246 |
| Lokaler Name | N,N'-Bis(3-aminopropyl)piperazin |
Chemische & physikalische Eigenschaften
| XLogP | -1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 116 |
| Physical Description | Liquid |
| Collision Cross Section | 150.3 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID8022246]150.2 Ų [M+H]+ [CCS Type: DTIonization: ESI+ |
| Schmelzpunkt | 15 °C(lit.) |
| Siedepunkt | 150-152 °C2 mm Hg(lit.) |
| Dichte | 0.973 g/mL at 25 °C(lit.) |
| Dampfdichte | 6.9 (vs air) |
| Dampfdruck | 0.133Pa at 25℃ |
| Brechungsindex | n20/D 1.502(lit.) |
| Flammpunkt | 325 °F |
| Lagerbedingungen | 2-8°C, protect from light |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 10.69±0.10(Predicted) |
| Farbe | Colorless to Almost colorless |
| pH | 11.7 at 20℃ and 1mg/L |
| Löslichkeit | Fully miscible in water. |
| BRN | 111747 |
| InChI | 1S/C10H24N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-12H2 |
| InChIKey | XUSNPFGLKGCWGN-UHFFFAOYSA-N |
| SMILES | NCCCN1CCN(CCCN)CC1 |
| LogP (Verteilungskoeffizient) | -1.43 at 25℃ and pH12.5 |
| Oberflächenspannung | 39.96mN/m at 1g/L and 20℃ |
| CAS Datenbank | 7209-38-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1,4-Bis(3-aminopropyl)piperazine(7209-38-3) |
| EPA chemische Informationen | 1,4-Piperazinedipropanamine (7209-38-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (58.3%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (78.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H412 (58.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 206 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 1,4-PiperazinedipropanamineSpecific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.1,4-Piperazinedipropanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Piperazinedipropanamine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 19-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/212661,4-Bis(3-aminopropyl)piperazine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Hazard Classes and Categories | Acute Tox. 4 (58.3%)Skin Corr. 1B (100%)Eye Dam. 1 (78.2%)Aquatic Chronic 3 (58.3%)Corrosives |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 2933599590 |
| RTECS-Nr. | TK8700000 |
| R-Sätze (R) | 34 |
| Toxizität | LD50 ivn-mus: 3500 mg/kg CPBTAL 20,2459,72 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
1,4-Bis(3-aminopropyl)piperazine was used to functionalize natural montmorillonite (M) and synthetic kanemite (K)1.