HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate
4-(Boc-aMinoMethyl)benzylaMine · N-Boc-4-(aminomethyl)benzylamine · 1-(N-BOC-AMINOMETHYL)-4-(AMINOMETHYL) BE · tert-Butyl 4-(Aminomethyl)benzylcarbamate · 1-(N-BOC-AMINOMETHYL)-3-(AMINOMETHYL)BENZENE · 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene · tert-Butyl N-[4-(aminomethyl)benzyl]carbamate · 4-(tert-Butoxycarbonylaminomethyl)benzylamine
![Molekülstruktur von tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate](/img/chemical/3354775.png)
Identifikatoren & physikalische Daten
| CAS No. | 108468-00-4 |
|---|---|
| Summenformel | C13H20N2O2 |
| Durchschnittliche Molmasse | 236,31 g/mol |
| Monoisotopische Masse | 236,15247788 g/mol |
| SMILES | CC(C)(C)OC(=O)NCc1ccc(CN)cc1 |
| InChIKey | NUANLVJLUYWSER-UHFFFAOYSA-N |
| PubChem CID | 3354775 |
| EC No. | 628-429-4 |
| DTXSID | DTXSID70391730 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 64,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 240 |
| Schmelzpunkt | 64-68 °C (lit.) |
| Siedepunkt | 250 °C(lit.) |
| Dichte | 1.06 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.523(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 12.29±0.46(Predicted) |
| Farbe | White to slightly yellow-pink or beige |
| InChI | 1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16) |
| InChIKey | NUANLVJLUYWSER-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)NCc1ccc(CN)cc1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.7%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29215990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene may be used for the synthesis of: oligomeric thioureas bipyrrole-based[2]catenanemodel receptors for dicarboxylates and monosaccharides