HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 82035Erstellt: 27. Oktober 2026
N2-[(tert-Butoxy)carbonyl]-L-asparagin
BOC-ASN-OH · BOC-ASN · BOC-L-ASN-OH · Nα-(tert-Butoxycarbonyl)-L-asparagine · NαBOC-L-ASN · 15381_FLUKA · -Boc-Nω-Boc-N-βNα-BOC-L-Asn
https://huagongshe.com/de/chemical/82035
Identifikatoren & physikalische Daten
| CAS No. | 7536-55-2 |
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| Summenformel | C9H16N2O5 |
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| Durchschnittliche Molmasse | 232,23 g/mol |
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| Monoisotopische Masse | 232,10592161 g/mol |
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| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)O |
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| InChIKey | FYYSQDHBALBGHX-YFKPBYRVSA-N |
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| PubChem CID | 82035 |
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| ChEMBL | CHEMBL1222167 |
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| ChEBI | CHEBI:3146 |
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| EC No. | 231-405-2 |
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| DTXSID | DTXSID80884401 |
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| Lokaler Name | N2-[(tert-Butoxy)carbonyl]-L-asparagin |
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Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
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| Polarare Oberfläche (TPSA) | 119 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 295 |
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| Schmelzpunkt | 175 °C (dec.)(lit.) |
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| Siedepunkt | 374.39°C (rough estimate) |
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| Dichte | 1.2896 (rough estimate) |
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| Brechungsindex | -7 ° (C=1, DMF) |
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| Flammpunkt | 245°C |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | almost transparency in N,N-DMF |
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| Aggregatzustand | Powder or Crystalline Powder |
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| pKa (Säurekonstante) | 3.79±0.10(Predicted) |
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| Farbe | White |
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| BRN | 1977963 |
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| Hauptanwendungen | peptide synthesis |
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| InChI | InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m0/s1 |
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| InChIKey | FYYSQDHBALBGHX-YFKPBYRVSA-N |
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| SMILES | C(O)(=O)[C@H](CC(N)=O)NC(OC(C)(C)C)=O |
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| CAS Datenbank | 7536-55-2(CAS DataBase Reference) |
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| EPA chemische Informationen | L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]- (7536-55-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (33.3%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2924 19 00 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 22-24/25-36-26 |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 11 - Combustible Solids |
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![Molekülstruktur von N2-[(tert-Butoxy)carbonyl]-L-asparagin](/img/chemical/82035.png)