HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 77922Erstellt: 26. Oktober 2026
tert-Butylcarbamat
NH2Boc · BOC-NH2 · T-BUTYL CARBAMATE · CARBAMIC ACID TERT-BUTYL ESTER · ert-Butyl carbamate · BOC-AMIDE · 1,1-Dimethylethyl carbamate · tert-Butyl carbamate,Boc-amide
https://huagongshe.com/de/chemical/77922
Identifikatoren & physikalische Daten
| CAS No. | 4248-19-5 |
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| Summenformel | C5H11NO2 |
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| Durchschnittliche Molmasse | 117,15 g/mol |
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| Monoisotopische Masse | 117,07897859 g/mol |
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| SMILES | CC(C)(C)OC(N)=O |
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| InChIKey | LFKDJXLFVYVEFG-UHFFFAOYSA-N |
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| PubChem CID | 77922 |
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| ChEMBL | CHEMBL3276740 |
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| EC No. | 224-209-3 |
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| DTXSID | DTXSID20195265 |
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| Lokaler Name | tert-Butylcarbamat |
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Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
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| Polarare Oberfläche (TPSA) | 52,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 93,1 |
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| LogP (Verteilungskoeffizient) | 0.48 |
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| Schmelzpunkt | 105-108 °C (lit.) |
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| Siedepunkt | 218.95°C (rough estimate) |
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| Dichte | 1.1274 (rough estimate) |
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| Brechungsindex | 1.4206 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Soluble in methylene chloride, chloroform, and alcohols. Slightly soluble in petroleum ether and water. |
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| pKa (Säurekonstante) | 13.59±0.50(Predicted) |
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| Aggregatzustand | Needles |
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| Farbe | White to slightly yellow |
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| BRN | 1744500 |
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| InChI | InChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7) |
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| InChIKey | LFKDJXLFVYVEFG-UHFFFAOYSA-N |
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| SMILES | C(OC(C)(C)C)(=O)N |
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| CAS Datenbank | 4248-19-5(CAS DataBase Reference) |
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| NIST chemische Informationen | Tert-butyl carbamate(4248-19-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 5 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 (60%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29241990 |
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| R-Sätze (R) | 36 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 39-26-24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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