HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 99718Erstellt: 26. Oktober 2026
N-(tert-Butoxycarbonyl)-L-aspartsure
BOC-ASP · BOC-L-ASP · N-BOC-L-ASPARTIC ACID · N-(TERT-BUTOXYCARBONYL)-L-ASPARTIC ACID · ENC2372947 · BOC-ASP-OH · BOC-L-ASP-OH · BOC-L-Aspatic
https://huagongshe.com/de/chemical/99718
Identifikatoren & physikalische Daten
| CAS No. | 13726-67-5 |
|---|
| Summenformel | C9H15NO6 |
|---|
| Durchschnittliche Molmasse | 233,22 g/mol |
|---|
| Monoisotopische Masse | 233,0899372 g/mol |
|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)O |
|---|
| InChIKey | KAJBMCZQVSQJDE-YFKPBYRVSA-N |
|---|
| PubChem CID | 99718 |
|---|
| ChEMBL | CHEMBL17509 |
|---|
| ChEBI | CHEBI:191068 |
|---|
| EC No. | 237-294-7 |
|---|
| DTXSID | DTXSID301286262 |
|---|
| Lokaler Name | N-(tert-Butoxycarbonyl)-L-aspartsure |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|
| Polarare Oberfläche (TPSA) | 113 |
|---|
| H-Brücken-Donoren | 3 |
|---|
| H-Brücken-Akzeptoren | 6 |
|---|
| Frei drehbare Bindungen | 6 |
|---|
| Schwere Atome | 16 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 293 |
|---|
| Schmelzpunkt | 116-118 °C(lit.) |
|---|
| Siedepunkt | 375.46°C (rough estimate) |
|---|
| Dichte | 1.3397 (rough estimate) |
|---|
| Brechungsindex | 1.4640 (estimate) |
|---|
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
|---|
| pKa (Säurekonstante) | 3.77±0.23(Predicted) |
|---|
| Aggregatzustand | Crystalline Powder |
|---|
| Farbe | White to off-white |
|---|
| BRN | 1913973 |
|---|
| Hauptanwendungen | peptide synthesis |
|---|
| InChI | 1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m0/s1 |
|---|
| InChIKey | KAJBMCZQVSQJDE-YFKPBYRVSA-N |
|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(O)=O)C(O)=O |
|---|
| CAS Datenbank | 13726-67-5(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 2924 19 00 |
|---|
| R-Sätze (R) | 20/21/22-36/37/38 |
|---|
| Gefahrensymbole | Xn |
|---|
| Sicherheitshinweise (S) | 26-36-24/25 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
