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N,N'-Dibenzylethylendiamin
Dbed · N1,N2-Dibenzylethane-1,2-diaMine · BENZATHINE · N,N'-Dibenzylethylenediamine · Benzatin · N,N'-dibenzylethane-1,2-diamine · Nsc5632 · usafdo-53
Identifikatoren & physikalische Daten
| CAS No. | 140-28-3 |
|---|---|
| Summenformel | C16H20N2 |
| Durchschnittliche Molmasse | 240,34 g/mol |
| Monoisotopische Masse | 240,16264864 g/mol |
| SMILES | c1ccc(CNCCNCc2ccccc2)cc1 |
| InChIKey | JUHORIMYRDESRB-UHFFFAOYSA-N |
| PubChem CID | 8793 |
| ChEMBL | CHEMBL193646 |
| ChEBI | CHEBI:51344 |
| EC No. | 205-408-4 |
| DTXSID | DTXSID4048359 |
| Lokaler Name | N,N'-Dibenzylethylendiamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 24,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 171 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Physical Description | Liquidmp = 26 deg C[Merck Index] Colorless liquidmp = 23-25 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 23-25°C |
| Siedepunkt | 195 °C4 mm Hg(lit.) |
| Dichte | 1.02 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.565(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Water (Slightly)Slightly soluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.15±0.19(Predicted) |
| Wichte | 1.025 |
| Farbe | White to Off-White |
| Merck | 14,1064 |
| BRN | 786668 |
| InChI | 1S/C16H20N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2 |
| InChIKey | JUHORIMYRDESRB-UHFFFAOYSA-N |
| SMILES | C(CNCc1ccccc1)NCc2ccccc2 |
| CAS Datenbank | 140-28-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2-Ethanediamine, N,N'-bis(phenylmethyl)-(140-28-3) |
| EPA chemische Informationen | 1,2-Ethanediamine, N,N'-bis(phenylmethyl)- (140-28-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (68.9%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 151 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Causes convulsions in oral lethal-dose studies of mice[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 3 (68.9%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2927 |
| Zollcode | 29215990 |
| RTECS-Nr. | KV3325000 |
| R-Sätze (R) | 22-36/37/38 |
| Toxizität | LD50 orl-mus: 388 mg/kg CNCRA6 52,579,68 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
N,N'-Dibenzylethylenediamine is an intermediate of cephalosporin and penicillin.