HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate
(R)-1-(TERT-BUTOXYCARBONYL)PIPERIDINE-3-CARBOXYLIC ACID · Boc-(R)-nipecotic acid · N-BOC-(R)-NIPECOTIC ACID · (R)-BOC-NIP · BOC-R-NIP-OH · BOC-D-NIP-OH · (r)-boc-nip-oh · Boc (R)-nipecot
Identifikatoren & physikalische Daten
| CAS No. | 163438-09-3 |
|---|---|
| Summenformel | C11H19NO4 |
| Durchschnittliche Molmasse | 229,27 g/mol |
| Monoisotopische Masse | 229,13140809 g/mol |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)O)C1 |
| InChIKey | NXILIHONWRXHFA-MRVPVSSYSA-N |
| PubChem CID | 643516 |
| EC No. | 626-971-6 |
| DTXSID | DTXSID00349209 |
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 | 282 |
| 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) | 4.49±0.20(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| BRN | 5539297 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1 |
| InChIKey | NXILIHONWRXHFA-MRVPVSSYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CCC[C@@H](C(O)=O)C1 |
| CAS Datenbank | 163438-09-3(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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Boc-D-nipecotic acid is used as an organic chemical synthesis intermediate.