HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(3-Aminopropyl)pyrrolidin-2-on
1-(3-AMINOPROPYL)-2-PYRROLIDONE · NSC 108683 · RARECHEM AL BW 2176 · Isoputreanine γ-lactam · N-(3-pyrrolidinyl)propanamide · 1-(3-aminopropyl)-2-pyrrolidinon · N-(3'-AMINOPROPYL)-2-PYRROLIDONE · 1-(3-Aminopropyl)pyrolidin-2-one
Identifikatoren & physikalische Daten
| CAS No. | 7663-77-6 |
|---|---|
| Summenformel | C7H14N2O |
| Durchschnittliche Molmasse | 142,2 g/mol |
| Monoisotopische Masse | 142,11061307 g/mol |
| SMILES | NCCCN1CCCC1=O |
| InChIKey | HJORCZCMNWLHMB-UHFFFAOYSA-N |
| PubChem CID | 82111 |
| EC No. | 231-632-7 |
| DTXSID | DTXSID80227455 |
| Lokaler Name | N-(3-Aminopropyl)pyrrolidin-2-on |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 125 |
| Siedepunkt | 120-123 °C1 mm Hg(lit.) |
| Dichte | 1.014 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.5(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 9.85±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.01 |
| Farbe | Clear colorless to slightly brown |
| InChI | InChI=1S/C7H14N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-6,8H2 |
| InChIKey | HJORCZCMNWLHMB-UHFFFAOYSA-N |
| SMILES | N1(CCCN)CCCC1=O |
| CAS Datenbank | 7663-77-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 9-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3267 8/PG 2 |
| Zollcode | 29337900 |
| RTECS-Nr. | UY5739500 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrenklasse | Skin Corr. 1B |
Anwendungen & Verwendung
Verwenden
1-(3-AMinopropyl)-2-pyrrolidinone can be used as a useful synthetic intermediate.