HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-CARBOXYLIC ACID · BOC-INP-OH · BOC-ISONIPECOTIC ACID · BOC-INP · Boc-DL-Inp-OH · BOC-PIC(4)-OH · AURORA KA-3052 · BUTTPARK 99\04-45
Identifikatoren & physikalische Daten
| CAS No. | 84358-13-4 |
|---|---|
| Summenformel | C11H19NO4 |
| Durchschnittliche Molmasse | 229,27 g/mol |
| Monoisotopische Masse | 229,13140809 g/mol |
| SMILES | CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1 |
| InChIKey | JWOHBPPVVDQMKB-UHFFFAOYSA-N |
| PubChem CID | 392871 |
| ChEMBL | CHEMBL1730672 |
| EC No. | 700-076-1 |
| DTXSID | DTXSID70233343 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 274 |
| Schmelzpunkt | 148-153 °C |
| Siedepunkt | 353.2±35.0 °C(Predicted) |
| Dichte | 1.164±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 4.56±0.20(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| Löslichkeit | Insoluble in water. |
| BRN | 5533442 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14) |
| InChIKey | JWOHBPPVVDQMKB-UHFFFAOYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CCC(C(O)=O)CC1 |
| CAS Datenbank | 84358-13-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 13 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 27-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31799 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
It is a pharmaceutical intermediate. he camptothecin ester of isonipecotic acid is installed on a triazine dendrimer intermediate obtained through an iterative, scalable route to ultimately yield cationic and PEGylated targets with activities in cell culture comparable to free drug.