HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(tert-Butyl)benzylamin
N-Benzyl-2-Methylpropan-2-aMine · AI3-23247 · AKOS BC-1243 · N-t-Butylbenzylamine · N-Benzylisobutylamine · N-BENZYL-T-BUTYLAMINE · Elobixibat Impurity 5 · TERT-BUTYL-BENZYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 3378-72-1 |
|---|---|
| Summenformel | C11H17N |
| Durchschnittliche Molmasse | 163,26 g/mol |
| Monoisotopische Masse | 163,13609954 g/mol |
| SMILES | CC(C)(C)NCc1ccccc1 |
| InChIKey | DLSOILHAKCBARI-UHFFFAOYSA-N |
| PubChem CID | 76908 |
| ChEMBL | CHEMBL5430961 |
| EC No. | 222-179-6 |
| DTXSID | DTXSID2063002 |
| Lokaler Name | N-(tert-Butyl)benzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 117 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | -25 °C |
| Siedepunkt | 80 °C5 mm Hg(lit.) |
| Dichte | 0.881 g/mL at 25 °C(lit.) |
| Dampfdruck | 12.1Pa at 25℃ |
| Brechungsindex | n20/D 1.497(lit.) |
| Flammpunkt | 176 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 2g/l2 g/L (20 ºC) |
| pKa (Säurekonstante) | 9.77±0.29(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| BRN | 507464 |
| Dielektrizitätskonstante | 3.2400000000000002 |
| InChI | 1S/C11H17N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3/p+1 |
| InChIKey | DLSOILHAKCBARI-UHFFFAOYSA-N |
| SMILES | [N+H2](C(C)(C)C)Cc1ccccc1 |
| LogP (Verteilungskoeffizient) | 2.9 at 25℃ |
| CAS Datenbank | 3378-72-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, N-(1,1-dimethylethyl)-(3378-72-1) |
| EPA chemische Informationen | Benzenemethanamine, N-(1,1-dimethylethyl)- (3378-72-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4% (1 of 25) of reports.DangerH226 (16%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 25 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 11-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22706Benzenemethanamine, N-(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (16%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2735 |
| Zollcode | 29214980 |
| R-Sätze (R) | 34-22-36/37/38 |
| Gefahrensymbole | C,Xi |
| Sicherheitshinweise (S) | 23-24/25-36-26-45-36/37/39 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible, corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
N-Benzyl-tert-butylamine, is used as a protected amine. It aids in the oxidation to the corresponding hydroxylamine and nitrone.