HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate
tert-butyl (S)-3-aminopyrrolidine-1-carboxylate · (S)-(-)-1-BOC-3-AMINOPYRROLIDINE · (S)-TERT-BUTYL 3-AMINOPYRROLIDINE-1-CARBOXYLATE · tert-Butyl (3S)-3-aminopyrrolidine-1-carboxylate · (S)-1-BOC-3-AMINOPYRROLIDINE · (S)-(-)-BOC-3-AMINOPYRROLIDINE · (S)-3-AMINO-1-N-BOC-PYRROLIDINE · (3S)-3-aminopyrroL
Identifikatoren & physikalische Daten
| CAS No. | 147081-44-5 |
|---|---|
| Summenformel | C9H18N2O2 |
| Durchschnittliche Molmasse | 186,25 g/mol |
| Monoisotopische Masse | 186,13682782 g/mol |
| SMILES | CC(C)(C)OC(=O)N1CC[C@H](N)C1 |
| InChIKey | CMIBWIAICVBURI-ZETCQYMHSA-N |
| PubChem CID | 854071 |
| EC No. | 627-302-0 |
| DTXSID | DTXSID00357546 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 198 |
| Siedepunkt | 216-217 °C(lit.) |
| Dichte | 1.067 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4720(lit.) |
| Flammpunkt | 196 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.55±0.20(Predicted) |
| Farbe | Clear colorless to yellow |
| BRN | 8312125 |
| InChI | InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m0/s1 |
| InChIKey | CMIBWIAICVBURI-ZETCQYMHSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CC[C@H](N)C1 |
| CAS Datenbank | 147081-44-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (86%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (86%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 22-41 |
| Gefahrensymbole | Xn,C,Xi |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | 8Acute Tox. 3 OralEye Dam. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
(S)-(-)-1-Boc-3-aminopyrrolidine may be used to prepare:Descarboxamide analog of 4-N-(Nω-nitro-L-argininyl)-trans-4-amino-L-proline amide.Histamine 3 (H3) receptor antagonists containing pyrrolidin-3-yl-N-methylbenzamide moiety.