HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-BOC-ethylenediamine
TERT-BUTYL 2-AMINOETHYLCARBAMATE · TERT-BUTYL N-(2-AMINOETHYL)CARBAMATE · (2-AMINO-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER · BOC-EDA · N-Boc-1 · Boc-Ethylenediamine · N-BOC-1,2-DIAMINOETHANE · BOC-DIAMINOETHANE
Identifikatoren & physikalische Daten
| CAS No. | 57260-73-8 |
|---|---|
| Summenformel | C7H16N2O2 |
| Durchschnittliche Molmasse | 160,21 g/mol |
| Monoisotopische Masse | 160,12117775 g/mol |
| SMILES | CC(C)(C)OC(=O)NCCN |
| InChIKey | AOCSUUGBCMTKJH-UHFFFAOYSA-N |
| PubChem CID | 187201 |
| EC No. | 611-490-6 |
| DTXSID | DTXSID70276679 |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 64,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 129 |
| Siedepunkt | 72-80 °C0.1 mm Hg(lit.) |
| Dichte | 1.012 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.458(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Miscible with methanol and chloroform. Slightly miscible with water. |
| Aggregatzustand | Oily Liquid |
| pKa (Säurekonstante) | 12.40±0.46(Predicted) |
| Wichte | 1.012 |
| Farbe | Clear colorless to very light yellow |
| BRN | 1932330 |
| InChI | 1S/C7H16N2O2/c1-7(2,3)11-6(10)9-5-4-8/h4-5,8H2,1-3H3,(H,9,10) |
| InChIKey | AOCSUUGBCMTKJH-UHFFFAOYSA-N |
| SMILES | NCCNC(OC(C)(C)C)=O |
| CAS Datenbank | 57260-73-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (98.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 56 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1A (98.2%) |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29241990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Air Sensitive |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
N-Boc-ethylenediamine is used in the synthesis of Thyronamine derivatives and analogs.