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1H-Imidazol-1-propylamin
1-(3-AMINOPROPYL)IMIDAZOLE · N-(3-AMINOPROPYL)IMIDAZOLE · 1H-Imidazole-1-propanamine · N3API · Lupragen API · LUPRAGEN(R) API · 1-(3-AminopropyL · N-(3-Aminopropyl)-im
Identifikatoren & physikalische Daten
| CAS No. | 5036-48-6 |
|---|---|
| Summenformel | C6H11N3 |
| Durchschnittliche Molmasse | 125,17 g/mol |
| Monoisotopische Masse | 125,09529735 g/mol |
| SMILES | NCCCn1ccnc1 |
| InChIKey | KDHWOCLBMVSZPG-UHFFFAOYSA-N |
| PubChem CID | 78736 |
| ChEMBL | CHEMBL3984871 |
| ChEBI | CHEBI:194835 |
| EC No. | 225-730-9 |
| DTXSID | DTXSID7063685 |
| Lokaler Name | 1H-Imidazol-1-propylamin |
Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 74,7 |
| Physical Description | Liquid |
| Schmelzpunkt | -68 °C |
| Siedepunkt | 296 °C |
| Dichte | 1.049 g/mL at 25 °C (lit.) |
| Dampfdruck | 0.12Pa at 20℃ |
| Brechungsindex | n20/D 1.519(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.08±0.10(Predicted) |
| Farbe | Clear colorless |
| pH | 11.3 (10g/l, H2O, 20℃) |
| Explosionsgrenze | 1.0-6.4%(V) |
| Löslichkeit | miscible |
| InChI | 1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2 |
| InChIKey | KDHWOCLBMVSZPG-UHFFFAOYSA-N |
| SMILES | NCCCn1ccnc1 |
| LogP (Verteilungskoeffizient) | -0.57 at 23℃ |
| CAS Datenbank | 5036-48-6(CAS DataBase Reference) |
| NIST chemische Informationen | 1-(3-Aminopropyl)imidazole(5036-48-6) |
| EPA chemische Informationen | 1H-Imidazole-1-propanamine (5036-48-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (82.1%): Harmful if swallowed [Warning Acute toxicity, oral]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 223 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Imidazole-1-propanamine1H-Imidazole-1-propanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole-1-propanamine 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 18-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/115091H-Imidazole-1-propanamine: 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. |
| Hazard Classes and Categories | Acute Tox. 4 (82.1%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3267 8/PG 2 |
| Zollcode | 29332990 |
| R-Sätze (R) | 34-22 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
1-(3-Aminopropyl)imidazole is used in the synthesis of pH-sensitive polyaspartamide derivatives. It is also used in the preparation of pH-sensitive amphiphilic polymers with different degrees of octaceylamine (C18) substitution by graft reaction.